4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide

C11H14N2O4 — CID 79192767

IUPAC4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide
SMILESO=C(CCCO)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O4/c14-6-2-5-11(15)12-8-9-3-1-4-10(7-9)13(16)17/h1,3-4,7,14H,2,5-6,8H2,(H,12,15)
InChIKeyACCLUOISNBTBID-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.98
Rot. Bonds6

About 4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide

4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide (PubChem CID 79192767) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide
PubChem CID79192767
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide
SMILESO=C(CCCO)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O4/c14-6-2-5-11(15)12-8-9-3-1-4-10(7-9)13(16)17/h1,3-4,7,14H,2,5-6,8H2,(H,12,15)
InChIKeyACCLUOISNBTBID-UHFFFAOYSA-N
XLogP0.98
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-nitrophenyl)methyl]butanamide
CID 47450320
2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62504721
2-fluoro-N-[(3-nitrophenyl)methyl]acetamide
CID 174553789
2-nitro-N-[(3-nitrophenyl)methyl]acetamide
CID 12512112
N-[(3-nitrophenyl)methyl]but-2-enamide
CID 78978970
2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62505597
2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 47450411
N-[(3-nitrophenyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79270880
N-[(3-bromophenyl)methyl]-5-hydroxypentanamide
CID 79209822
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(3-nitrophenyl)methyl]urea
CID 110908553
1-(2-hydroxyethyl)-3-[(3-nitrophenyl)methyl]-1-propylurea
CID 110908555
2-methyl-3-[(3-nitrophenyl)methylamino]-3-oxopropanoic acid
CID 114898347

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide?
The IUPAC name of 4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide (CID 79192767) is 4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide is O=C(CCCO)NCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide?
The InChIKey is ACCLUOISNBTBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-6-2-5-11(15)12-8-9-3-1-4-10(7-9)13(16)17/h1,3-4,7,14H,2,5-6,8H2,(H,12,15).
What are the key properties of 4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide?
4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide has a molecular weight of 238.24 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide is sourced from PubChem (CID 79192767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).