2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide

C23H32N2O2 — CID 56584158

IUPAC2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(CCCO)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32N2O2/c1-3-21(4-2)24-22(27)18-25(16-11-17-26)23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,21,23,26H,3-4,11,16-18H2,1-2H3,(H,24,27)
InChIKeySPPKQYUTEUGMBM-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.77
Rot. Bonds11

About 2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide

2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide (PubChem CID 56584158) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide
PubChem CID56584158
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(CCCO)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32N2O2/c1-3-21(4-2)24-22(27)18-25(16-11-17-26)23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,21,23,26H,3-4,11,16-18H2,1-2H3,(H,24,27)
InChIKeySPPKQYUTEUGMBM-UHFFFAOYSA-N
XLogP3.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-phenylpropyl)acetamide
CID 56584229
3-[benzhydryl(butyl)amino]propan-1-ol
CID 56583759
methyl 4-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]benzoate
CID 56513890
2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 56514413
2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 56513235
methyl 3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-4-methylbenzoate
CID 56513630
3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide
CID 56514414
2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide
CID 56514550
2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide
CID 56513370
2-[benzhydryl(3-hydroxypropyl)amino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 86903702
2-[benzhydryl(ethyl)amino]ethanol
CID 131843300
3-[benzhydryl(3-hydroxypropyl)amino]-N-cyclopentylpropanamide
CID 56583821

Frequently Asked Questions

What is the IUPAC name of 2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide (CID 56584158) is 2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN(CCCO)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide?
The InChIKey is SPPKQYUTEUGMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-3-21(4-2)24-22(27)18-25(16-11-17-26)23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,21,23,26H,3-4,11,16-18H2,1-2H3,(H,24,27).
What are the key properties of 2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide?
2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide has a molecular weight of 368.52 g/mol, XLogP of 3.77, 11 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-pentan-3-ylacetamide is sourced from PubChem (CID 56584158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).