N-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide

C12H18N2O4 — CID 135316074

IUPACN-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide
SMILESCC(C)NC(=O)C(CCO)NC(=O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-8(2)13-11(16)9(5-6-15)14-12(17)10-4-3-7-18-10/h3-4,7-9,15H,5-6H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyRNAWOOJFSZXVFP-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.28
Rot. Bonds6

About N-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide

N-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide (PubChem CID 135316074) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide
PubChem CID135316074
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide
SMILESCC(C)NC(=O)C(CCO)NC(=O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-8(2)13-11(16)9(5-6-15)14-12(17)10-4-3-7-18-10/h3-4,7-9,15H,5-6H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyRNAWOOJFSZXVFP-UHFFFAOYSA-N
XLogP0.28
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide 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

(2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid
CID 107822895
N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 78768077
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848
(2R)-2-(furan-2-carbonylamino)butanoic acid
CID 858760
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
4-[2-(furan-2-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 80537997
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119384373
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567017
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide (CID 135316074) is N-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide is CC(C)NC(=O)C(CCO)NC(=O)c1ccco1.
What is the InChIKey of N-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide?
The InChIKey is RNAWOOJFSZXVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8(2)13-11(16)9(5-6-15)14-12(17)10-4-3-7-18-10/h3-4,7-9,15H,5-6H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide?
N-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 135316074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).