3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide

C17H26N2O3 — CID 111447233

IUPAC3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NCC(C)CC(C)O)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-12(9-13(2)20)11-18-17(22)10-16(19-14(3)21)15-7-5-4-6-8-15/h4-8,12-13,16,20H,9-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyVDSQYPMSRNRJBM-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.78
Rot. Bonds8

About 3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide

3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide (PubChem CID 111447233) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide
PubChem CID111447233
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NCC(C)CC(C)O)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-12(9-13(2)20)11-18-17(22)10-16(19-14(3)21)15-7-5-4-6-8-15/h4-8,12-13,16,20H,9-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyVDSQYPMSRNRJBM-UHFFFAOYSA-N
XLogP1.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide
CID 119526217
(2R)-2-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119363670
(2S)-2-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119361300
N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide
CID 111447676
(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 8750784
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
[(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2530415
N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide
CID 111447562

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide (CID 111447233) is 3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide is CC(=O)NC(CC(=O)NCC(C)CC(C)O)c1ccccc1.
What is the InChIKey of 3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide?
The InChIKey is VDSQYPMSRNRJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(9-13(2)20)11-18-17(22)10-16(19-14(3)21)15-7-5-4-6-8-15/h4-8,12-13,16,20H,9-11H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide?
3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide is sourced from PubChem (CID 111447233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).