1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide

C22H32N2O2 — CID 53110342

IUPAC1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(C2(C(=O)NC3CCCCCC3)CCCCC2)cc1
InChIInChI=1S/C22H32N2O2/c1-17(25)23-20-13-11-18(12-14-20)22(15-7-4-8-16-22)21(26)24-19-9-5-2-3-6-10-19/h11-14,19H,2-10,15-16H2,1H3,(H,23,25)(H,24,26)
InChIKeyJAQFSVPBNHIVIQ-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.69
Rot. Bonds4

About 1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide

1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide (PubChem CID 53110342) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide
PubChem CID53110342
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(C2(C(=O)NC3CCCCCC3)CCCCC2)cc1
InChIInChI=1S/C22H32N2O2/c1-17(25)23-20-13-11-18(12-14-20)22(15-7-4-8-16-22)21(26)24-19-9-5-2-3-6-10-19/h11-14,19H,2-10,15-16H2,1H3,(H,23,25)(H,24,26)
InChIKeyJAQFSVPBNHIVIQ-UHFFFAOYSA-N
XLogP4.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetamidophenyl)-N-cyclopentylcyclobutane-1-carboxamide
CID 53110546
1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972267
N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198451
N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821667
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
4-acetamido-N-cyclooctylbenzamide
CID 2990044
1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide
CID 95086493
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide
CID 50822425
N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide
CID 53110570
N-cyclohexyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378333
N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971652
1-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)cyclopentane-1-carboxamide
CID 78767408

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide?
The IUPAC name of 1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide (CID 53110342) is 1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide is CC(=O)Nc1ccc(C2(C(=O)NC3CCCCCC3)CCCCC2)cc1.
What is the InChIKey of 1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide?
The InChIKey is JAQFSVPBNHIVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-17(25)23-20-13-11-18(12-14-20)22(15-7-4-8-16-22)21(26)24-19-9-5-2-3-6-10-19/h11-14,19H,2-10,15-16H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide?
1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide is sourced from PubChem (CID 53110342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).