N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide

C17H24N2O2 — CID 46580283

IUPACN-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C2CCCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-12(18-17(21)14-7-4-3-5-8-14)15-9-6-10-16(11-15)19-13(2)20/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyPLVUCYFPUQKORA-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.40
Rot. Bonds4

About N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide

N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide (PubChem CID 46580283) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
PubChem CID46580283
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C2CCCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-12(18-17(21)14-7-4-3-5-8-14)15-9-6-10-16(11-15)19-13(2)20/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyPLVUCYFPUQKORA-UHFFFAOYSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide
CID 60981088
N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide
CID 46580355
N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
CID 16796065
N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772
N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
CID 43507810
N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide
CID 60980286
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056
N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide
CID 81386672
N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097142
N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide
CID 104956122
N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55585994
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide (CID 46580283) is N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide is CC(=O)Nc1cccc(C(C)NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide?
The InChIKey is PLVUCYFPUQKORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(18-17(21)14-7-4-3-5-8-14)15-9-6-10-16(11-15)19-13(2)20/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide?
N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 46580283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).