2-[(4-nitrophenyl)methylamino]propanamide

C10H13N3O3 — CID 43402378

IUPAC2-[(4-nitrophenyl)methylamino]propanamide
SMILESCC(NCc1ccc([N+](=O)[O-])cc1)C(N)=O
InChIInChI=1S/C10H13N3O3/c1-7(10(11)14)12-6-8-2-4-9(5-3-8)13(15)16/h2-5,7,12H,6H2,1H3,(H2,11,14)
InChIKeyMJUVKIXIOYZFHQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.56
Rot. Bonds5

About 2-[(4-nitrophenyl)methylamino]propanamide

2-[(4-nitrophenyl)methylamino]propanamide (PubChem CID 43402378) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(4-nitrophenyl)methylamino]propanamide
PubChem CID43402378
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[(4-nitrophenyl)methylamino]propanamide
SMILESCC(NCc1ccc([N+](=O)[O-])cc1)C(N)=O
InChIInChI=1S/C10H13N3O3/c1-7(10(11)14)12-6-8-2-4-9(5-3-8)13(15)16/h2-5,7,12H,6H2,1H3,(H2,11,14)
InChIKeyMJUVKIXIOYZFHQ-UHFFFAOYSA-N
XLogP0.56
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.56
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

(2S)-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide
CID 23625206
N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide
CID 43400092
2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide
CID 60875982
(2S)-3-methyl-N-[(4-nitrophenyl)methyl]butan-2-amine
CID 28833402
2-[(4-nitrophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 60875208
2-[(4-bromophenyl)methylamino]propanamide
CID 43402314
2-(4-nitroanilino)propanamide
CID 43400796
2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide
CID 43329475
methyl 3-amino-2-[(4-nitrophenyl)methylamino]propanoate
CID 114242268
2,6-dimethyl-N-[(4-nitrophenyl)methyl]heptan-4-amine
CID 63450301
2-[(4-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 43399991
methyl 4-methyl-3-[(4-nitrophenyl)methylamino]pentanoate
CID 23067147

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)methylamino]propanamide?
The IUPAC name of 2-[(4-nitrophenyl)methylamino]propanamide (CID 43402378) is 2-[(4-nitrophenyl)methylamino]propanamide.
What is the SMILES notation for 2-[(4-nitrophenyl)methylamino]propanamide?
The canonical SMILES for 2-[(4-nitrophenyl)methylamino]propanamide is CC(NCc1ccc([N+](=O)[O-])cc1)C(N)=O.
What is the InChIKey of 2-[(4-nitrophenyl)methylamino]propanamide?
The InChIKey is MJUVKIXIOYZFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7(10(11)14)12-6-8-2-4-9(5-3-8)13(15)16/h2-5,7,12H,6H2,1H3,(H2,11,14).
What are the key properties of 2-[(4-nitrophenyl)methylamino]propanamide?
2-[(4-nitrophenyl)methylamino]propanamide has a molecular weight of 223.23 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)methylamino]propanamide is sourced from PubChem (CID 43402378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).