N-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide

C26H32N2O3 — CID 172686489

IUPACN-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide
SMILESCOc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1NC(=O)C1CCCCC1
InChIInChI=1S/C26H32N2O3/c1-31-23-18-21(14-15-22(23)28-24(29)19-10-4-2-5-11-19)27-25(30)26(16-8-9-17-26)20-12-6-3-7-13-20/h3,6-7,12-15,18-19H,2,4-5,8-11,16-17H2,1H3,(H,27,30)(H,28,29)
InChIKeyBCILPGFFMGNRIP-UHFFFAOYSA-N
MW420.55 g/mol
LogP5.66
Rot. Bonds6

About N-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide

N-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide (PubChem CID 172686489) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide
PubChem CID172686489
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC NameN-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide
SMILESCOc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1NC(=O)C1CCCCC1
InChIInChI=1S/C26H32N2O3/c1-31-23-18-21(14-15-22(23)28-24(29)19-10-4-2-5-11-19)27-25(30)26(16-8-9-17-26)20-12-6-3-7-13-20/h3,6-7,12-15,18-19H,2,4-5,8-11,16-17H2,1H3,(H,27,30)(H,28,29)
InChIKeyBCILPGFFMGNRIP-UHFFFAOYSA-N
XLogP5.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 119420158
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-phenylcyclobutane-1-carboxamide
CID 32520661
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
CID 110602595
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide
CID 119327991
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745550
N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658573
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide (CID 172686489) is N-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide is COc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1NC(=O)C1CCCCC1.
What is the InChIKey of N-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide?
The InChIKey is BCILPGFFMGNRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-31-23-18-21(14-15-22(23)28-24(29)19-10-4-2-5-11-19)27-25(30)26(16-8-9-17-26)20-12-6-3-7-13-20/h3,6-7,12-15,18-19H,2,4-5,8-11,16-17H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide?
N-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide has a molecular weight of 420.55 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 172686489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).