2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide

C17H28N2O2 — CID 111488794

IUPAC2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide
SMILESCC(O)CCN(C)CC(=O)NC(c1ccccc1)C(C)C
InChIInChI=1S/C17H28N2O2/c1-13(2)17(15-8-6-5-7-9-15)18-16(21)12-19(4)11-10-14(3)20/h5-9,13-14,17,20H,10-12H2,1-4H3,(H,18,21)
InChIKeyHVPQSZZUIKSCFC-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.20
Rot. Bonds8

About 2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide

2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide (PubChem CID 111488794) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide
PubChem CID111488794
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide
SMILESCC(O)CCN(C)CC(=O)NC(c1ccccc1)C(C)C
InChIInChI=1S/C17H28N2O2/c1-13(2)17(15-8-6-5-7-9-15)18-16(21)12-19(4)11-10-14(3)20/h5-9,13-14,17,20H,10-12H2,1-4H3,(H,18,21)
InChIKeyHVPQSZZUIKSCFC-UHFFFAOYSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid
CID 122120150
2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-phenylpropyl)acetamide
CID 24566119
2-bromo-N-(2-methyl-1-phenylpropyl)acetamide
CID 10492239
2-(methylamino)-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119693512
2-amino-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119273385
2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 107204145
N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-phenylphenyl)acetamide
CID 2215611
2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 115665779
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425
2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 115665846
2-[cyclopentyl-[2-[[(1R)-2-methyl-1-phenylpropyl]amino]-2-oxoethyl]amino]acetamide
CID 94136545

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide?
The IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide (CID 111488794) is 2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide.
What is the SMILES notation for 2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide?
The canonical SMILES for 2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide is CC(O)CCN(C)CC(=O)NC(c1ccccc1)C(C)C.
What is the InChIKey of 2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide?
The InChIKey is HVPQSZZUIKSCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)17(15-8-6-5-7-9-15)18-16(21)12-19(4)11-10-14(3)20/h5-9,13-14,17,20H,10-12H2,1-4H3,(H,18,21).
What are the key properties of 2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide?
2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.20, 8 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-(2-methyl-1-phenylpropyl)acetamide is sourced from PubChem (CID 111488794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).