2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide

C21H26N2O2 — CID 8965725

IUPAC2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide
SMILESC[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16-9-5-6-12-18(16)22-15-21(24)23-19-13-7-8-14-20(19)25-17-10-3-2-4-11-17/h2-4,7-8,10-11,13-14,16,18,22H,5-6,9,12,15H2,1H3,(H,23,24)/t16-,18-/m0/s1
InChIKeyYGBIHAAZBGMFRG-WMZOPIPTSA-N
MW338.45 g/mol
LogP4.59
Rot. Bonds6

About 2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide

2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide (PubChem CID 8965725) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide
PubChem CID8965725
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide
SMILESC[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16-9-5-6-12-18(16)22-15-21(24)23-19-13-7-8-14-20(19)25-17-10-3-2-4-11-17/h2-4,7-8,10-11,13-14,16,18,22H,5-6,9,12,15H2,1H3,(H,23,24)/t16-,18-/m0/s1
InChIKeyYGBIHAAZBGMFRG-WMZOPIPTSA-N
XLogP4.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-N-(2-phenoxyphenyl)acetamide
CID 60647217
N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide
CID 1133388
2-[(2,3-dimethylcyclopentyl)amino]-N-(2-methoxyphenyl)acetamide
CID 64909122
N-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide
CID 8009217
2-[cyclohexyl(methyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 46800677
N-[2-oxo-2-(2-phenoxyanilino)ethyl]cyclopropanecarboxamide
CID 42697207
2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide
CID 113000974
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
2-[(2-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 43179972
cis-[2-oxo-2-(2-phenoxyanilino)ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 2355096
2-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 8903480
N-(2-phenoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 78908251

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide (CID 8965725) is 2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide is C[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is YGBIHAAZBGMFRG-WMZOPIPTSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-9-5-6-12-18(16)22-15-21(24)23-19-13-7-8-14-20(19)25-17-10-3-2-4-11-17/h2-4,7-8,10-11,13-14,16,18,22H,5-6,9,12,15H2,1H3,(H,23,24)/t16-,18-/m0/s1.
What are the key properties of 2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide?
2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 8965725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).