N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide

C28H36N2O4 — CID 3502281

IUPACN-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
SMILESCOc1cc(-c2ccc(NC(=O)C3CCCCC3)c(OC)c2)ccc1NC(=O)C1CCCCC1
InChIInChI=1S/C28H36N2O4/c1-33-25-17-21(13-15-23(25)29-27(31)19-9-5-3-6-10-19)22-14-16-24(26(18-22)34-2)30-28(32)20-11-7-4-8-12-20/h13-20H,3-12H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyWLJXNTOXOKJRNG-UHFFFAOYSA-N
MW464.61 g/mol
LogP6.41
Rot. Bonds7

About N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide

N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide (PubChem CID 3502281) has the molecular formula C28H36N2O4 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
PubChem CID3502281
Molecular FormulaC28H36N2O4
Molecular Weight464.61 g/mol
Exact Mass464.27
IUPAC NameN-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
SMILESCOc1cc(-c2ccc(NC(=O)C3CCCCC3)c(OC)c2)ccc1NC(=O)C1CCCCC1
InChIInChI=1S/C28H36N2O4/c1-33-25-17-21(13-15-23(25)29-27(31)19-9-5-3-6-10-19)22-14-16-24(26(18-22)34-2)30-28(32)20-11-7-4-8-12-20/h13-20H,3-12H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyWLJXNTOXOKJRNG-UHFFFAOYSA-N
XLogP6.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
N-(2,4-dimethoxy-3-methylphenyl)cyclopentanecarboxamide
CID 110777847
N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide
CID 146453828
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride
CID 43140036
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 18584049
N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
CID 110777920
N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide
CID 155537883
N-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide
CID 172686489
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide (CID 3502281) is N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide is COc1cc(-c2ccc(NC(=O)C3CCCCC3)c(OC)c2)ccc1NC(=O)C1CCCCC1.
What is the InChIKey of N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide?
The InChIKey is WLJXNTOXOKJRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O4/c1-33-25-17-21(13-15-23(25)29-27(31)19-9-5-3-6-10-19)22-14-16-24(26(18-22)34-2)30-28(32)20-11-7-4-8-12-20/h13-20H,3-12H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide?
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide has a molecular weight of 464.61 g/mol, XLogP of 6.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 3502281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).