2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide

C25H34N2O2 — CID 56513235

IUPAC2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN(CCCO)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34N2O2/c1-20-11-8-9-16-23(20)26-24(29)19-27(17-10-18-28)25(21-12-4-2-5-13-21)22-14-6-3-7-15-22/h2-7,12-15,20,23,25,28H,8-11,16-19H2,1H3,(H,26,29)
InChIKeyXHWSNPGXAQYKDN-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.16
Rot. Bonds9

About 2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide

2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide (PubChem CID 56513235) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide
PubChem CID56513235
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN(CCCO)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34N2O2/c1-20-11-8-9-16-23(20)26-24(29)19-27(17-10-18-28)25(21-12-4-2-5-13-21)22-14-6-3-7-15-22/h2-7,12-15,20,23,25,28H,8-11,16-19H2,1H3,(H,26,29)
InChIKeyXHWSNPGXAQYKDN-UHFFFAOYSA-N
XLogP4.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzhydryl(3-hydroxypropyl)amino]-N-cyclopentylpropanamide
CID 56583821
2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide
CID 56584158
2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8548615
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749921
N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
CID 7909419
2-[benzhydryl(3-hydroxypropyl)amino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 86903702
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132177
phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate
CID 126191202
2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 51965737
1-benzhydryl-1-methyl-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8743002
1-benzhydryl-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8743005
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 11916917

Frequently Asked Questions

What is the IUPAC name of 2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide (CID 56513235) is 2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CN(CCCO)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is XHWSNPGXAQYKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-20-11-8-9-16-23(20)26-24(29)19-27(17-10-18-28)25(21-12-4-2-5-13-21)22-14-6-3-7-15-22/h2-7,12-15,20,23,25,28H,8-11,16-19H2,1H3,(H,26,29).
What are the key properties of 2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide?
2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 394.56 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 56513235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).