2-benzyl-3-[formyl(hydroxy)amino]propanamide

C11H14N2O3 — CID 87592529

IUPAC2-benzyl-3-[formyl(hydroxy)amino]propanamide
SMILESNC(=O)C(Cc1ccccc1)CN(O)C=O
InChIInChI=1S/C11H14N2O3/c12-11(15)10(7-13(16)8-14)6-9-4-2-1-3-5-9/h1-5,8,10,16H,6-7H2,(H2,12,15)
InChIKeyQBQVAIOGPMSLJM-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.18
Rot. Bonds6

About 2-benzyl-3-[formyl(hydroxy)amino]propanamide

2-benzyl-3-[formyl(hydroxy)amino]propanamide (PubChem CID 87592529) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-benzyl-3-[formyl(hydroxy)amino]propanamide.

Molecular Properties

Compound Name2-benzyl-3-[formyl(hydroxy)amino]propanamide
PubChem CID87592529
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-benzyl-3-[formyl(hydroxy)amino]propanamide
SMILESNC(=O)C(Cc1ccccc1)CN(O)C=O
InChIInChI=1S/C11H14N2O3/c12-11(15)10(7-13(16)8-14)6-9-4-2-1-3-5-9/h1-5,8,10,16H,6-7H2,(H2,12,15)
InChIKeyQBQVAIOGPMSLJM-UHFFFAOYSA-N
XLogP0.18
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-benzyl-3-[formyl(hydroxy)amino]propanoyl]amino]-3-phenylpropanoic acid
CID 54496020
(2S)-2-benzyl-3-[[(2R)-2-benzyl-3-[formyl(hydroxy)amino]propanoyl]amino]propanoic acid
CID 165152538
2-benzylheptanediamide
CID 154384370
2-[[2-benzyl-3-[formyl(hydroxy)amino]propanoyl]amino]-3,3-dimethylhexanoic acid
CID 22673435
(2R,4E,6E)-2-benzylocta-4,6-dienamide
CID 125467073
methyl (3R)-4-amino-3-benzyl-4-oxobutanoate
CID 170449979
2-bromo-3-phenylpropanamide
CID 22238787
(2S)-2-bromo-3-phenylpropanamide
CID 71482600
N-hydroxy-N-(2-phenylethyl)formamide
CID 87396822
CID 160513351
CID 160513351
2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide
CID 174284135
methyl 2-benzyl-4-oxobutanoate
CID 10608348

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[formyl(hydroxy)amino]propanamide?
The IUPAC name of 2-benzyl-3-[formyl(hydroxy)amino]propanamide (CID 87592529) is 2-benzyl-3-[formyl(hydroxy)amino]propanamide.
What is the SMILES notation for 2-benzyl-3-[formyl(hydroxy)amino]propanamide?
The canonical SMILES for 2-benzyl-3-[formyl(hydroxy)amino]propanamide is NC(=O)C(Cc1ccccc1)CN(O)C=O.
What is the InChIKey of 2-benzyl-3-[formyl(hydroxy)amino]propanamide?
The InChIKey is QBQVAIOGPMSLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-11(15)10(7-13(16)8-14)6-9-4-2-1-3-5-9/h1-5,8,10,16H,6-7H2,(H2,12,15).
What are the key properties of 2-benzyl-3-[formyl(hydroxy)amino]propanamide?
2-benzyl-3-[formyl(hydroxy)amino]propanamide has a molecular weight of 222.24 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[formyl(hydroxy)amino]propanamide is sourced from PubChem (CID 87592529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).