N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide

C15H23NO4 — CID 103850827

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide
SMILESCOCC(CCO)NC(=O)C(C)OCc1ccccc1
InChIInChI=1S/C15H23NO4/c1-12(20-10-13-6-4-3-5-7-13)15(18)16-14(8-9-17)11-19-2/h3-7,12,14,17H,8-11H2,1-2H3,(H,16,18)
InChIKeyQJDKFJVEVVOXTO-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.11
Rot. Bonds9

About N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide

N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide (PubChem CID 103850827) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide
PubChem CID103850827
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide
SMILESCOCC(CCO)NC(=O)C(C)OCc1ccccc1
InChIInChI=1S/C15H23NO4/c1-12(20-10-13-6-4-3-5-7-13)15(18)16-14(8-9-17)11-19-2/h3-7,12,14,17H,8-11H2,1-2H3,(H,16,18)
InChIKeyQJDKFJVEVVOXTO-UHFFFAOYSA-N
XLogP1.11
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide 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

(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
3-methyl-2-(2-phenylmethoxypropanoylamino)butanoic acid
CID 43354070
2-(2-phenylmethoxypropanoylamino)hexanoic acid
CID 43469799
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide
CID 106161073
4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid
CID 43353337
(2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide
CID 106161059
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-phenylpropanamide
CID 106161030
4-amino-4-oxo-2-(2-phenylmethoxypropanoylamino)butanoic acid
CID 43357173
2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799437
3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103851039
1-methyl-3-(2-phenylmethoxypropanoylamino)urea
CID 47383903
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxypropanamide
CID 64792798

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide (CID 103850827) is N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide is COCC(CCO)NC(=O)C(C)OCc1ccccc1.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide?
The InChIKey is QJDKFJVEVVOXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-12(20-10-13-6-4-3-5-7-13)15(18)16-14(8-9-17)11-19-2/h3-7,12,14,17H,8-11H2,1-2H3,(H,16,18).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide has a molecular weight of 281.35 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide is sourced from PubChem (CID 103850827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).