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

C27H32N2O2 — CID 56584229

IUPAC2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-phenylpropyl)acetamide
SMILESO=C(CN(CCCO)C(c1ccccc1)c1ccccc1)NCCCc1ccccc1
InChIInChI=1S/C27H32N2O2/c30-21-11-20-29(22-26(31)28-19-10-14-23-12-4-1-5-13-23)27(24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-9,12-13,15-18,27,30H,10-11,14,19-22H2,(H,28,31)
InChIKeyCFHSOTJJASYFBQ-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.21
Rot. Bonds12

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

2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-phenylpropyl)acetamide (PubChem CID 56584229) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-phenylpropyl)acetamide
PubChem CID56584229
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-phenylpropyl)acetamide
SMILESO=C(CN(CCCO)C(c1ccccc1)c1ccccc1)NCCCc1ccccc1
InChIInChI=1S/C27H32N2O2/c30-21-11-20-29(22-26(31)28-19-10-14-23-12-4-1-5-13-23)27(24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-9,12-13,15-18,27,30H,10-11,14,19-22H2,(H,28,31)
InChIKeyCFHSOTJJASYFBQ-UHFFFAOYSA-N
XLogP4.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 8730291
2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 107204085
2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 56514413
2-[ethyl(3-hydroxypropyl)amino]-N-(2-phenylethyl)acetamide
CID 115666394
2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide
CID 56584158
2-[benzhydryl(3-hydroxypropyl)amino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 86903702
2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 115665779
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162
N-(3-phenylpropyl)-2-phenylsulfanylacetamide
CID 2098867
1-[2-[bis[2-(3-phenylpropylcarbamoylamino)ethyl]amino]ethyl]-3-(3-phenylpropyl)urea
CID 101049094
2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 81493917

Frequently Asked Questions

What is the IUPAC name of 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-phenylpropyl)acetamide (CID 56584229) is 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-phenylpropyl)acetamide is O=C(CN(CCCO)C(c1ccccc1)c1ccccc1)NCCCc1ccccc1.
What is the InChIKey of 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-phenylpropyl)acetamide?
The InChIKey is CFHSOTJJASYFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c30-21-11-20-29(22-26(31)28-19-10-14-23-12-4-1-5-13-23)27(24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-9,12-13,15-18,27,30H,10-11,14,19-22H2,(H,28,31).
What are the key properties of 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-phenylpropyl)acetamide?
2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-phenylpropyl)acetamide has a molecular weight of 416.57 g/mol, XLogP of 4.21, 12 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-(3-phenylpropyl)acetamide is sourced from PubChem (CID 56584229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).