1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide

C30H40N4O4 — CID 28639774

IUPAC1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C(=O)NC(C)(C)C)c3)CC2)c1
InChIInChI=1S/C30H40N4O4/c1-29(2,3)33-27(37)21-9-7-11-23(17-21)31-25(35)19-13-15-20(16-14-19)26(36)32-24-12-8-10-22(18-24)28(38)34-30(4,5)6/h7-12,17-20H,13-16H2,1-6H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKeyISLAANWNDLMYBH-UHFFFAOYSA-N
MW520.67 g/mol
LogP5.13
Rot. Bonds6

About 1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide

1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide (PubChem CID 28639774) has the molecular formula C30H40N4O4 and a molecular weight of 520.67 g/mol. Its IUPAC name is 1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
PubChem CID28639774
Molecular FormulaC30H40N4O4
Molecular Weight520.67 g/mol
Exact Mass520.30
IUPAC Name1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C(=O)NC(C)(C)C)c3)CC2)c1
InChIInChI=1S/C30H40N4O4/c1-29(2,3)33-27(37)21-9-7-11-23(17-21)31-25(35)19-13-15-20(16-14-19)26(36)32-24-12-8-10-22(18-24)28(38)34-30(4,5)6/h7-12,17-20H,13-16H2,1-6H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKeyISLAANWNDLMYBH-UHFFFAOYSA-N
XLogP5.13
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.67
LogP ≤ 55.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283628
3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide
CID 51144044
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid
CID 119199014
N-tert-butyl-3-(cyclohexanecarbonylcarbamothioylamino)benzamide
CID 28639674
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide
CID 119607471
N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119283635
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119607470
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
(1S,6R)-6-[[3-(tert-butylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94599038
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide (CID 28639774) is 1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide is CC(C)(C)NC(=O)c1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C(=O)NC(C)(C)C)c3)CC2)c1.
What is the InChIKey of 1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is ISLAANWNDLMYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O4/c1-29(2,3)33-27(37)21-9-7-11-23(17-21)31-25(35)19-13-15-20(16-14-19)26(36)32-24-12-8-10-22(18-24)28(38)34-30(4,5)6/h7-12,17-20H,13-16H2,1-6H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38).
What are the key properties of 1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 520.67 g/mol, XLogP of 5.13, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 28639774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).