2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide

C17H26N2O2 — CID 43180111

IUPAC2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNC2CCCC(C)C2C)c1
InChIInChI=1S/C17H26N2O2/c1-12-6-4-9-16(13(12)2)18-11-17(20)19-14-7-5-8-15(10-14)21-3/h5,7-8,10,12-13,16,18H,4,6,9,11H2,1-3H3,(H,19,20)
InChIKeyZTZRSJKZMXXLHQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.05
Rot. Bonds5

About 2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide

2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 43180111) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide
PubChem CID43180111
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNC2CCCC(C)C2C)c1
InChIInChI=1S/C17H26N2O2/c1-12-6-4-9-16(13(12)2)18-11-17(20)19-14-7-5-8-15(10-14)21-3/h5,7-8,10,12-13,16,18H,4,6,9,11H2,1-3H3,(H,19,20)
InChIKeyZTZRSJKZMXXLHQ-UHFFFAOYSA-N
XLogP3.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide
CID 1133388
methyl 3-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzoate
CID 112770322
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 11929471
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(3-methoxyphenyl)acetamide
CID 104696228
N-(3-methoxyphenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide
CID 82725273
1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-(3-methoxyphenyl)thiourea
CID 11930350
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 11929484
N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43078612
N-(3-bromophenyl)-2-[(2,3-dimethylcyclopentyl)amino]acetamide
CID 64909334
N-(3-methoxyphenyl)-2-[(2-oxooxolan-3-yl)amino]acetamide
CID 43825760
N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide
CID 11939615
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide (CID 43180111) is 2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CNC2CCCC(C)C2C)c1.
What is the InChIKey of 2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is ZTZRSJKZMXXLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-6-4-9-16(13(12)2)18-11-17(20)19-14-7-5-8-15(10-14)21-3/h5,7-8,10,12-13,16,18H,4,6,9,11H2,1-3H3,(H,19,20).
What are the key properties of 2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide?
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 43180111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).