1-(benzylamino)-N-(3,5-ditert-butylphenyl)cyclohexane-1-carboxamide;N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-ditert-butylbenzamide;3,5-ditert-butyl-N-[1-[(4-chlorophenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]benzamide

C144H200ClN11O10 — CID 159847749

IUPAC1-(benzylamino)-N-(3,5-ditert-butylphenyl)cyclohexane-1-carboxamide;N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-ditert-butylbenzamide;3,5-ditert-butyl-N-[1-[(4-chlorophenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]benzamide
SMILESCC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3ccc(Cl)cc3)CCCCC2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3ccccc3)CCCCC2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3ccccn3)CCCCC2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(NC(=O)C2(NCc3ccccc3)CCCCC2)cc(C(C)(C)C)c1.COc1ccc(CNC(=O)C2(NC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)CCCCC2)cc1
InChIInChI=1S/C30H42N2O3.C29H39ClN2O2.C29H40N2O2.C28H39N3O2.C28H40N2O/c1-28(2,3)23-17-22(18-24(19-23)29(4,5)6)26(33)32-30(15-9-8-10-16-30)27(34)31-20-21-11-13-25(35-7)14-12-21;1-27(2,3)22-16-21(17-23(18-22)28(4,5)6)25(33)32-29(14-8-7-9-15-29)26(34)31-19-20-10-12-24(30)13-11-20;1-27(2,3)23-17-22(18-24(19-23)28(4,5)6)25(32)31-29(15-11-8-12-16-29)26(33)30-20-21-13-9-7-10-14-21;1-26(2,3)21-16-20(17-22(18-21)27(4,5)6)24(32)31-28(13-9-7-10-14-28)25(33)30-19-23-12-8-11-15-29-23;1-26(2,3)22-17-23(27(4,5)6)19-24(18-22)30-25(31)28(15-11-8-12-16-28)29-20-21-13-9-7-10-14-21/h11-14,17-19H,8-10,15-16,20H2,1-7H3,(H,31,34)(H,32,33);10-13,16-18H,7-9,14-15,19H2,1-6H3,(H,31,34)(H,32,33);7,9-10,13-14,17-19H,8,11-12,15-16,20H2,1-6H3,(H,30,33)(H,31,32);8,11-12,15-18H,7,9-10,13-14,19H2,1-6H3,(H,30,33)(H,31,32);7,9-10,13-14,17-19,29H,8,11-12,15-16,20H2,1-6H3,(H,30,31)
InChIKeyNPNKYJJUWFOIOT-UHFFFAOYSA-N
MW2280.70 g/mol
LogP30.89
Rot. Bonds26

About 1-(benzylamino)-N-(3,5-ditert-butylphenyl)cyclohexane-1-carboxamide;N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-ditert-butylbenzamide;3,5-ditert-butyl-N-[1-[(4-chlorophenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]benzamide

1-(benzylamino)-N-(3,5-ditert-butylphenyl)cyclohexane-1-carboxamide;N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-ditert-butylbenzamide;3,5-ditert-butyl-N-[1-[(4-chlorophenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]benzamide (PubChem CID 159847749) has the molecular formula C144H200ClN11O10 and a molecular weight of 2280.70 g/mol. Its IUPAC name is 1-(benzylamino)-N-(3,5-ditert-butylphenyl)cyclohexane-1-carboxamide;N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-ditert-butylbenzamide;3,5-ditert-butyl-N-[1-[(4-chlorophenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name1-(benzylamino)-N-(3,5-ditert-butylphenyl)cyclohexane-1-carboxamide;N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-ditert-butylbenzamide;3,5-ditert-butyl-N-[1-[(4-chlorophenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]benzamide
PubChem CID159847749
Molecular FormulaC144H200ClN11O10
Molecular Weight2280.70 g/mol
Exact Mass2278.52
IUPAC Name1-(benzylamino)-N-(3,5-ditert-butylphenyl)cyclohexane-1-carboxamide;N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-ditert-butylbenzamide;3,5-ditert-butyl-N-[1-[(4-chlorophenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]benzamide
SMILESCC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3ccc(Cl)cc3)CCCCC2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3ccccc3)CCCCC2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3ccccn3)CCCCC2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(NC(=O)C2(NCc3ccccc3)CCCCC2)cc(C(C)(C)C)c1.COc1ccc(CNC(=O)C2(NC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)CCCCC2)cc1
InChIInChI=1S/C30H42N2O3.C29H39ClN2O2.C29H40N2O2.C28H39N3O2.C28H40N2O/c1-28(2,3)23-17-22(18-24(19-23)29(4,5)6)26(33)32-30(15-9-8-10-16-30)27(34)31-20-21-11-13-25(35-7)14-12-21;1-27(2,3)22-16-21(17-23(18-22)28(4,5)6)25(33)32-29(14-8-7-9-15-29)26(34)31-19-20-10-12-24(30)13-11-20;1-27(2,3)23-17-22(18-24(19-23)28(4,5)6)25(32)31-29(15-11-8-12-16-29)26(33)30-20-21-13-9-7-10-14-21;1-26(2,3)21-16-20(17-22(18-21)27(4,5)6)24(32)31-28(13-9-7-10-14-28)25(33)30-19-23-12-8-11-15-29-23;1-26(2,3)22-17-23(27(4,5)6)19-24(18-22)30-25(31)28(15-11-8-12-16-28)29-20-21-13-9-7-10-14-21/h11-14,17-19H,8-10,15-16,20H2,1-7H3,(H,31,34)(H,32,33);10-13,16-18H,7-9,14-15,19H2,1-6H3,(H,31,34)(H,32,33);7,9-10,13-14,17-19H,8,11-12,15-16,20H2,1-6H3,(H,30,33)(H,31,32);8,11-12,15-18H,7,9-10,13-14,19H2,1-6H3,(H,30,33)(H,31,32);7,9-10,13-14,17-19,29H,8,11-12,15-16,20H2,1-6H3,(H,30,31)
InChIKeyNPNKYJJUWFOIOT-UHFFFAOYSA-N
XLogP30.89
TPSA296.05 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002280.70
LogP ≤ 530.89
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Analyze 1-(benzylamino)-N-(3,5-ditert-butylphenyl)cyclohexane-1-carboxamide;N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-ditert-butylbenzamide;3,5-ditert-butyl-N-[1-[(4-chlorophenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]benzamide with MolForge

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Related Compounds

5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide
CID 44527680
US11014963, Example 216
CID 137365700
(2Z)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)formamido]-N-[(pyridin-4-yl)methyl]prop-2-enamide
CID 1954752
[(1R)-1-[[(2S)-2-[[(2S)-2-[(5-chloropyridine-2-carbonyl)amino]-3-(4-methoxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-2-(4-methoxyphenyl)ethyl]boronic acid
CID 52941483
[(1R)-1-[[(2S)-2-[[(2S)-2-[(4-chloropyridine-2-carbonyl)amino]-3-(4-methoxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-2-(4-methoxyphenyl)ethyl]boronic acid
CID 52949437
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 71185934
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-pyridin-3-ylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 71499330
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)-3-chlorophenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 71499432
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 71499452
US11014963, Example 215
CID 137365717
US11014963, Example 214
CID 137365734
US11014963, Example 120
CID 137365748

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-N-(3,5-ditert-butylphenyl)cyclohexane-1-carboxamide;N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-ditert-butylbenzamide;3,5-ditert-butyl-N-[1-[(4-chlorophenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]benzamide?
The IUPAC name of 1-(benzylamino)-N-(3,5-ditert-butylphenyl)cyclohexane-1-carboxamide;N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-ditert-butylbenzamide;3,5-ditert-butyl-N-[1-[(4-chlorophenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]benzamide (CID 159847749) is 1-(benzylamino)-N-(3,5-ditert-butylphenyl)cyclohexane-1-carboxamide;N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-ditert-butylbenzamide;3,5-ditert-butyl-N-[1-[(4-chlorophenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]benzamide.
What is the SMILES notation for 1-(benzylamino)-N-(3,5-ditert-butylphenyl)cyclohexane-1-carboxamide;N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-ditert-butylbenzamide;3,5-ditert-butyl-N-[1-[(4-chlorophenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]benzamide?
The canonical SMILES for 1-(benzylamino)-N-(3,5-ditert-butylphenyl)cyclohexane-1-carboxamide;N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-ditert-butylbenzamide;3,5-ditert-butyl-N-[1-[(4-chlorophenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]benzamide is CC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3ccc(Cl)cc3)CCCCC2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3ccccc3)CCCCC2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3ccccn3)CCCCC2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(NC(=O)C2(NCc3ccccc3)CCCCC2)cc(C(C)(C)C)c1.COc1ccc(CNC(=O)C2(NC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)CCCCC2)cc1.
What is the InChIKey of 1-(benzylamino)-N-(3,5-ditert-butylphenyl)cyclohexane-1-carboxamide;N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-ditert-butylbenzamide;3,5-ditert-butyl-N-[1-[(4-chlorophenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]benzamide?
The InChIKey is NPNKYJJUWFOIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O3.C29H39ClN2O2.C29H40N2O2.C28H39N3O2.C28H40N2O/c1-28(2,3)23-17-22(18-24(19-23)29(4,5)6)26(33)32-30(15-9-8-10-16-30)27(34)31-20-21-11-13-25(35-7)14-12-21;1-27(2,3)22-16-21(17-23(18-22)28(4,5)6)25(33)32-29(14-8-7-9-15-29)26(34)31-19-20-10-12-24(30)13-11-20;1-27(2,3)23-17-22(18-24(19-23)28(4,5)6)25(32)31-29(15-11-8-12-16-29)26(33)30-20-21-13-9-7-10-14-21;1-26(2,3)21-16-20(17-22(18-21)27(4,5)6)24(32)31-28(13-9-7-10-14-28)25(33)30-19-23-12-8-11-15-29-23;1-26(2,3)22-17-23(27(4,5)6)19-24(18-22)30-25(31)28(15-11-8-12-16-28)29-20-21-13-9-7-10-14-21/h11-14,17-19H,8-10,15-16,20H2,1-7H3,(H,31,34)(H,32,33);10-13,16-18H,7-9,14-15,19H2,1-6H3,(H,31,34)(H,32,33);7,9-10,13-14,17-19H,8,11-12,15-16,20H2,1-6H3,(H,30,33)(H,31,32);8,11-12,15-18H,7,9-10,13-14,19H2,1-6H3,(H,30,33)(H,31,32);7,9-10,13-14,17-19,29H,8,11-12,15-16,20H2,1-6H3,(H,30,31).
What are the key properties of 1-(benzylamino)-N-(3,5-ditert-butylphenyl)cyclohexane-1-carboxamide;N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-ditert-butylbenzamide;3,5-ditert-butyl-N-[1-[(4-chlorophenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]benzamide?
1-(benzylamino)-N-(3,5-ditert-butylphenyl)cyclohexane-1-carboxamide;N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-ditert-butylbenzamide;3,5-ditert-butyl-N-[1-[(4-chlorophenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]benzamide has a molecular weight of 2280.70 g/mol, XLogP of 30.89, 26 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-N-(3,5-ditert-butylphenyl)cyclohexane-1-carboxamide;N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-ditert-butylbenzamide;3,5-ditert-butyl-N-[1-[(4-chlorophenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclohexyl]benzamide;3,5-ditert-butyl-N-[1-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]benzamide is sourced from PubChem (CID 159847749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).