N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide

C16H24N2O2 — CID 1133388

IUPACN-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN[C@@H]2CCCC[C@@H]2C)c1
InChIInChI=1S/C16H24N2O2/c1-12-6-3-4-9-15(12)17-11-16(19)18-13-7-5-8-14(10-13)20-2/h5,7-8,10,12,15,17H,3-4,6,9,11H2,1-2H3,(H,18,19)/t12-,15+/m0/s1
InChIKeySQURVWWHOTXWRT-SWLSCSKDSA-N
MW276.38 g/mol
LogP2.80
Rot. Bonds5

About N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide

N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide (PubChem CID 1133388) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide
PubChem CID1133388
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN[C@@H]2CCCC[C@@H]2C)c1
InChIInChI=1S/C16H24N2O2/c1-12-6-3-4-9-15(12)17-11-16(19)18-13-7-5-8-14(10-13)20-2/h5,7-8,10,12,15,17H,3-4,6,9,11H2,1-2H3,(H,18,19)/t12-,15+/m0/s1
InChIKeySQURVWWHOTXWRT-SWLSCSKDSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide
CID 43180111
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(3-methoxyphenyl)acetamide
CID 104696228
N-(3-methoxyphenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide
CID 82725273
2-[(2-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 43179972
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 9198399
N-(3-methoxyphenyl)-2-[(2-oxooxolan-3-yl)amino]acetamide
CID 43825760
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
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-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide
CID 8965725
2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 81388783
2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 56570222

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide (CID 1133388) is N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide is COc1cccc(NC(=O)CN[C@@H]2CCCC[C@@H]2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide?
The InChIKey is SQURVWWHOTXWRT-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-3-4-9-15(12)17-11-16(19)18-13-7-5-8-14(10-13)20-2/h5,7-8,10,12,15,17H,3-4,6,9,11H2,1-2H3,(H,18,19)/t12-,15+/m0/s1.
What are the key properties of N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide?
N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide is sourced from PubChem (CID 1133388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).