ethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide

C13H30N2O3 — CID 170621924

IUPACethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide
SMILESCC.CC.CNCCN(C(C)=O)C(CO)C(C)=O
InChIInChI=1S/C9H18N2O3.2C2H6/c1-7(13)9(6-12)11(8(2)14)5-4-10-3;2*1-2/h9-10,12H,4-6H2,1-3H3;2*1-2H3
InChIKeyWNECYELPKKJEIF-UHFFFAOYSA-N
MW262.39 g/mol
LogP1.06
Rot. Bonds6

About ethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide

ethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide (PubChem CID 170621924) has the molecular formula C13H30N2O3 and a molecular weight of 262.39 g/mol. Its IUPAC name is ethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound Nameethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide
PubChem CID170621924
Molecular FormulaC13H30N2O3
Molecular Weight262.39 g/mol
Exact Mass262.23
IUPAC Nameethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide
SMILESCC.CC.CNCCN(C(C)=O)C(CO)C(C)=O
InChIInChI=1S/C9H18N2O3.2C2H6/c1-7(13)9(6-12)11(8(2)14)5-4-10-3;2*1-2/h9-10,12H,4-6H2,1-3H3;2*1-2H3
InChIKeyWNECYELPKKJEIF-UHFFFAOYSA-N
XLogP1.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]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

(3R)-3-(dimethylamino)-4-hydroxybutan-2-one
CID 59048229
(3S)-3-(dimethylamino)-4-hydroxybutan-2-one
CID 59048256
2-[acetyl(propyl)amino]-3-hydroxypropanoic acid
CID 104711278
N-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide
CID 170621916
2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 87509746
N-methyl-N-[3-(methylamino)propyl]acetamide
CID 23084468
methyl-[2-(methylamino)ethyl]carbamic acid;2-methylpropane
CID 161126143
(3R)-3-(hydroxymethyl)-6-(methylamino)hexan-2-one
CID 59862123
methyl-[2-(methylamino)ethyl]carbamothioic S-acid
CID 55299053
2-methoxy-N-[2-(methylamino)ethyl]-N-propan-2-ylacetamide
CID 165447343
2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid
CID 118019685
N-[2-(methylamino)ethyl]-N-(2-oxoethyl)acetamide
CID 118974935

Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide?
The IUPAC name of ethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide (CID 170621924) is ethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide.
What is the SMILES notation for ethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide?
The canonical SMILES for ethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide is CC.CC.CNCCN(C(C)=O)C(CO)C(C)=O.
What is the InChIKey of ethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide?
The InChIKey is WNECYELPKKJEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3.2C2H6/c1-7(13)9(6-12)11(8(2)14)5-4-10-3;2*1-2/h9-10,12H,4-6H2,1-3H3;2*1-2H3.
What are the key properties of ethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide?
ethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide has a molecular weight of 262.39 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 170621924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).