N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide

C17H26N2O2 — CID 64752342

IUPACN-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC1CC(C)CC(C)C1
InChIInChI=1S/C17H26N2O2/c1-11-7-12(2)9-15(8-11)19-16-10-14(18-13(3)20)5-6-17(16)21-4/h5-6,10-12,15,19H,7-9H2,1-4H3,(H,18,20)
InChIKeyISRXOLOBGVKVHA-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.89
Rot. Bonds4

About N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide

N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide (PubChem CID 64752342) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide
PubChem CID64752342
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC1CC(C)CC(C)C1
InChIInChI=1S/C17H26N2O2/c1-11-7-12(2)9-15(8-11)19-16-10-14(18-13(3)20)5-6-17(16)21-4/h5-6,10-12,15,19H,7-9H2,1-4H3,(H,18,20)
InChIKeyISRXOLOBGVKVHA-UHFFFAOYSA-N
XLogP3.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide
CID 43715792
N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
CID 97335336
N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide
CID 43715791
3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide
CID 64750811
N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide
CID 63335794
N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64723792
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639
3-(5-acetamido-2-methoxyanilino)propanoic acid
CID 54299266
N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide
CID 104870720
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184
N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide
CID 104860140

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide (CID 64752342) is N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1NC1CC(C)CC(C)C1.
What is the InChIKey of N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide?
The InChIKey is ISRXOLOBGVKVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11-7-12(2)9-15(8-11)19-16-10-14(18-13(3)20)5-6-17(16)21-4/h5-6,10-12,15,19H,7-9H2,1-4H3,(H,18,20).
What are the key properties of N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide?
N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 64752342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).