2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide

C16H26N2O2 — CID 115665779

IUPAC2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
SMILESCC(O)CCN(C)CC(=O)NCCCc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-14(19)10-12-18(2)13-16(20)17-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,14,19H,6,9-13H2,1-2H3,(H,17,20)
InChIKeyHTUYHCKJXCKUFY-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.44
Rot. Bonds9

About 2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide

2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide (PubChem CID 115665779) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
PubChem CID115665779
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
SMILESCC(O)CCN(C)CC(=O)NCCCc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-14(19)10-12-18(2)13-16(20)17-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,14,19H,6,9-13H2,1-2H3,(H,17,20)
InChIKeyHTUYHCKJXCKUFY-UHFFFAOYSA-N
XLogP1.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 81493917
2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 107204085
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 8730291
2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide
CID 113147718
N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide
CID 108951176
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
CID 8729406
2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 111488709
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 9028707
N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide
CID 111695751

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide (CID 115665779) is 2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide is CC(O)CCN(C)CC(=O)NCCCc1ccccc1.
What is the InChIKey of 2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide?
The InChIKey is HTUYHCKJXCKUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-14(19)10-12-18(2)13-16(20)17-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,14,19H,6,9-13H2,1-2H3,(H,17,20).
What are the key properties of 2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide?
2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 115665779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).