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

C21H25NO — CID 7909419

IUPACN-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO/c1-16-10-8-9-15-19(16)22-21(23)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-7,11-14,16,19-20H,8-10,15H2,1H3,(H,22,23)/t16-,19+/m1/s1
InChIKeyRMZNOEVUDYPOSF-APWZRJJASA-N
MW307.44 g/mol
LogP4.51
Rot. Bonds4

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

N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide (PubChem CID 7909419) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
PubChem CID7909419
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO/c1-16-10-8-9-15-19(16)22-21(23)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-7,11-14,16,19-20H,8-10,15H2,1H3,(H,22,23)/t16-,19+/m1/s1
InChIKeyRMZNOEVUDYPOSF-APWZRJJASA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119676490
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749921
1-benzhydryl-3-(2-methylcyclohexyl)urea
CID 108867484
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8548615
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9372400
2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 51965737
1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[(2,2-diphenylacetyl)amino]thiourea
CID 11946242
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
CID 99005028
methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate
CID 98077087
N-[(2-methylcyclopentyl)methyl]-2,2-diphenylacetamide
CID 167190715
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132177

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide?
The IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide (CID 7909419) is N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide is C[C@@H]1CCCC[C@@H]1NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide?
The InChIKey is RMZNOEVUDYPOSF-APWZRJJASA-N. The full InChI is InChI=1S/C21H25NO/c1-16-10-8-9-15-19(16)22-21(23)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-7,11-14,16,19-20H,8-10,15H2,1H3,(H,22,23)/t16-,19+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide?
N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide has a molecular weight of 307.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide is sourced from PubChem (CID 7909419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).