N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide

C13H17N3O3 — CID 62316575

IUPACN-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide
SMILESO=C(CCNCc1ccc([N+](=O)[O-])cc1)NC1CC1
InChIInChI=1S/C13H17N3O3/c17-13(15-11-3-4-11)7-8-14-9-10-1-5-12(6-2-10)16(18)19/h1-2,5-6,11,14H,3-4,7-9H2,(H,15,17)
InChIKeyIIVSURNBXHDPAD-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.35
Rot. Bonds7

About N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide

N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide (PubChem CID 62316575) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide
PubChem CID62316575
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide
SMILESO=C(CCNCc1ccc([N+](=O)[O-])cc1)NC1CC1
InChIInChI=1S/C13H17N3O3/c17-13(15-11-3-4-11)7-8-14-9-10-1-5-12(6-2-10)16(18)19/h1-2,5-6,11,14H,3-4,7-9H2,(H,15,17)
InChIKeyIIVSURNBXHDPAD-UHFFFAOYSA-N
XLogP1.35
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide 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

N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993
N-tert-butyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 115605393
N-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanamide
CID 109013440
N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide
CID 79401252
N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide
CID 79036237
3-[(4-nitrophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 28654790
4-[(4-nitrophenyl)methylamino]butanamide
CID 60865200
N-cyclopropyl-3-(furan-3-ylmethylamino)propanamide
CID 78921552
N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
CID 78922158
N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
CID 78978276
4-[[[4-(cyclopropylamino)-4-oxobutyl]amino]methyl]benzoic acid
CID 79394418

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide (CID 62316575) is N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide is O=C(CCNCc1ccc([N+](=O)[O-])cc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide?
The InChIKey is IIVSURNBXHDPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-13(15-11-3-4-11)7-8-14-9-10-1-5-12(6-2-10)16(18)19/h1-2,5-6,11,14H,3-4,7-9H2,(H,15,17).
What are the key properties of N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide?
N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide has a molecular weight of 263.30 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide is sourced from PubChem (CID 62316575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).