N-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane

C37H61N3O3 — CID 159362022

IUPACN-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane
SMILESC.CCCC1CCC(C(=O)Nc2cc(NC(=O)C3CCC(CCC)CC3)cc(NC(=O)C3CCC(CCC)CC3)c2)CC1
InChIInChI=1S/C36H57N3O3.CH4/c1-4-7-25-10-16-28(17-11-25)34(40)37-31-22-32(38-35(41)29-18-12-26(8-5-2)13-19-29)24-33(23-31)39-36(42)30-20-14-27(9-6-3)15-21-30;/h22-30H,4-21H2,1-3H3,(H,37,40)(H,38,41)(H,39,42);1H4
InChIKeyLIQRLESLOGHIDN-UHFFFAOYSA-N
MW595.91 g/mol
LogP9.96
Rot. Bonds12

About N-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane

N-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane (PubChem CID 159362022) has the molecular formula C37H61N3O3 and a molecular weight of 595.91 g/mol. Its IUPAC name is N-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane.

Molecular Properties

Compound NameN-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane
PubChem CID159362022
Molecular FormulaC37H61N3O3
Molecular Weight595.91 g/mol
Exact Mass595.47
IUPAC NameN-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane
SMILESC.CCCC1CCC(C(=O)Nc2cc(NC(=O)C3CCC(CCC)CC3)cc(NC(=O)C3CCC(CCC)CC3)c2)CC1
InChIInChI=1S/C36H57N3O3.CH4/c1-4-7-25-10-16-28(17-11-25)34(40)37-31-22-32(38-35(41)29-18-12-26(8-5-2)13-19-29)24-33(23-31)39-36(42)30-20-14-27(9-6-3)15-21-30;/h22-30H,4-21H2,1-3H3,(H,37,40)(H,38,41)(H,39,42);1H4
InChIKeyLIQRLESLOGHIDN-UHFFFAOYSA-N
XLogP9.96
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.91
LogP ≤ 59.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

S-[4,5-dichloro-2-[(4-propylcyclohexanecarbonyl)amino]phenyl] 2,2-dimethylpropanethioate
CID 22956346
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
CID 19206974
4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 64792837
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
4-[(4-butylcyclohexanecarbonyl)amino]benzamide
CID 8884677
N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide
CID 130404848
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
5-[(4-butylcyclohexanecarbonyl)amino]-2-(4-tert-butylcyclohexyl)benzene-1,3-dicarboxamide
CID 176728999
1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149500
4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide
CID 82259069
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propylcyclohexane-1-carboxamide
CID 4289230

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane?
The IUPAC name of N-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane (CID 159362022) is N-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane.
What is the SMILES notation for N-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane?
The canonical SMILES for N-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane is C.CCCC1CCC(C(=O)Nc2cc(NC(=O)C3CCC(CCC)CC3)cc(NC(=O)C3CCC(CCC)CC3)c2)CC1.
What is the InChIKey of N-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane?
The InChIKey is LIQRLESLOGHIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H57N3O3.CH4/c1-4-7-25-10-16-28(17-11-25)34(40)37-31-22-32(38-35(41)29-18-12-26(8-5-2)13-19-29)24-33(23-31)39-36(42)30-20-14-27(9-6-3)15-21-30;/h22-30H,4-21H2,1-3H3,(H,37,40)(H,38,41)(H,39,42);1H4.
What are the key properties of N-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane?
N-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane has a molecular weight of 595.91 g/mol, XLogP of 9.96, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane is sourced from PubChem (CID 159362022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).