N-(2,3-dihydroxybutyl)acetamide

C6H13NO3 — CID 91533638

IUPACN-(2,3-dihydroxybutyl)acetamide
SMILESCC(=O)NCC(O)C(C)O
InChIInChI=1S/C6H13NO3/c1-4(8)6(10)3-7-5(2)9/h4,6,8,10H,3H2,1-2H3,(H,7,9)
InChIKeyLERBXSNWZHBRNT-UHFFFAOYSA-N
MW147.17 g/mol
LogP-1.14
Rot. Bonds3

About N-(2,3-dihydroxybutyl)acetamide

N-(2,3-dihydroxybutyl)acetamide (PubChem CID 91533638) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is N-(2,3-dihydroxybutyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxybutyl)acetamide
PubChem CID91533638
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC NameN-(2,3-dihydroxybutyl)acetamide
SMILESCC(=O)NCC(O)C(C)O
InChIInChI=1S/C6H13NO3/c1-4(8)6(10)3-7-5(2)9/h4,6,8,10H,3H2,1-2H3,(H,7,9)
InChIKeyLERBXSNWZHBRNT-UHFFFAOYSA-N
XLogP-1.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydroxybutyl)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

N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
ethane;N-(2-methylpropyl)acetamide
CID 142232237
N-(2,3-dihydroxyhex-5-enyl)acetamide
CID 174926163
N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide
CID 123622831
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
N-(2-methoxypropyl)acetamide
CID 90876780
2-methylpropan-1-amine;N-(2-methylpropyl)acetamide
CID 161466003
N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829889
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
CID 170829458
N-[(2S)-2-hydroxy-2-[[(2S)-1-(methylamino)propan-2-yl]amino]ethyl]acetamide
CID 163940153
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxybutyl)acetamide?
The IUPAC name of N-(2,3-dihydroxybutyl)acetamide (CID 91533638) is N-(2,3-dihydroxybutyl)acetamide.
What is the SMILES notation for N-(2,3-dihydroxybutyl)acetamide?
The canonical SMILES for N-(2,3-dihydroxybutyl)acetamide is CC(=O)NCC(O)C(C)O.
What is the InChIKey of N-(2,3-dihydroxybutyl)acetamide?
The InChIKey is LERBXSNWZHBRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(8)6(10)3-7-5(2)9/h4,6,8,10H,3H2,1-2H3,(H,7,9).
What are the key properties of N-(2,3-dihydroxybutyl)acetamide?
N-(2,3-dihydroxybutyl)acetamide has a molecular weight of 147.17 g/mol, XLogP of -1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxybutyl)acetamide is sourced from PubChem (CID 91533638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).