N-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide

C14H22N4O3 — CID 80783432

IUPACN-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide
SMILESCCCNc1cc(NC(C)C(=O)NCC)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H22N4O3/c1-4-6-16-11-7-12(9-13(8-11)18(20)21)17-10(3)14(19)15-5-2/h7-10,16-17H,4-6H2,1-3H3,(H,15,19)
InChIKeyIOCVXKPOWIQLLV-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.35
Rot. Bonds8

About N-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide

N-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide (PubChem CID 80783432) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide
PubChem CID80783432
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide
SMILESCCCNc1cc(NC(C)C(=O)NCC)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H22N4O3/c1-4-6-16-11-7-12(9-13(8-11)18(20)21)17-10(3)14(19)15-5-2/h7-10,16-17H,4-6H2,1-3H3,(H,15,19)
InChIKeyIOCVXKPOWIQLLV-UHFFFAOYSA-N
XLogP2.35
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[3-nitro-5-(propylamino)anilino]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

2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide
CID 80897022
N-ethyl-2-[3-nitro-5-(propylamino)anilino]acetamide
CID 80788196
3-methyl-2-[3-nitro-5-(propylamino)anilino]butan-1-ol
CID 80848348
2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide
CID 103828384
N-[2-[3-nitro-5-(propylamino)anilino]ethyl]acetamide
CID 80788354
2-[3-nitro-5-(propylamino)anilino]ethanol
CID 80766320
2-[3-(ethylamino)-5-nitroanilino]-N,N-dimethylpropanamide
CID 80803534
3-N-(4-methylpentyl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80830944
N-ethyl-2-(2-methyl-5-nitroanilino)propanamide
CID 55023374
3-N-(2-methylbutan-2-yl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80768062
3-N-(2-methoxy-2-methylpropyl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 104767259
3,5-dinitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 14440643

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide?
The IUPAC name of N-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide (CID 80783432) is N-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide.
What is the SMILES notation for N-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide?
The canonical SMILES for N-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide is CCCNc1cc(NC(C)C(=O)NCC)cc([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide?
The InChIKey is IOCVXKPOWIQLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-6-16-11-7-12(9-13(8-11)18(20)21)17-10(3)14(19)15-5-2/h7-10,16-17H,4-6H2,1-3H3,(H,15,19).
What are the key properties of N-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide?
N-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide has a molecular weight of 294.36 g/mol, XLogP of 2.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide is sourced from PubChem (CID 80783432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).