2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide

C22H28N2O — CID 8548615

IUPAC2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-17-10-8-9-15-20(17)24-21(25)16-23-22(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-7,11-14,17,20,22-23H,8-10,15-16H2,1H3,(H,24,25)/t17-,20+/m1/s1
InChIKeyYFCGHFKUZJSSFX-XLIONFOSSA-N
MW336.48 g/mol
LogP4.06
Rot. Bonds6

About 2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide

2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide (PubChem CID 8548615) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
PubChem CID8548615
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-17-10-8-9-15-20(17)24-21(25)16-23-22(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-7,11-14,17,20,22-23H,8-10,15-16H2,1H3,(H,24,25)/t17-,20+/m1/s1
InChIKeyYFCGHFKUZJSSFX-XLIONFOSSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide
CID 55896839
2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 51965737
N-[(1S,2S)-2-methylcyclohexyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 11935888
1-benzhydryl-3-(2-methylcyclohexyl)urea
CID 108867484
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 8710351
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749921
N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
CID 7909419
2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2498816
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132177
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 11916917
2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 51166113
2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 43249246

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide (CID 8548615) is 2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide is C[C@@H]1CCCC[C@@H]1NC(=O)CNC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is YFCGHFKUZJSSFX-XLIONFOSSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17-10-8-9-15-20(17)24-21(25)16-23-22(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-7,11-14,17,20,22-23H,8-10,15-16H2,1H3,(H,24,25)/t17-,20+/m1/s1.
What are the key properties of 2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 336.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 8548615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).