N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide

C15H22N4O3 — CID 119572924

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide
SMILESCC(CN)(NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C15H22N4O3/c1-15(10-16,11-6-7-11)18-14(20)8-9-17-12-4-2-3-5-13(12)19(21)22/h2-5,11,17H,6-10,16H2,1H3,(H,18,20)
InChIKeyNGXFJBBZDMSVNA-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.64
Rot. Bonds8

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide (PubChem CID 119572924) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide
PubChem CID119572924
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide
SMILESCC(CN)(NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C15H22N4O3/c1-15(10-16,11-6-7-11)18-14(20)8-9-17-12-4-2-3-5-13(12)19(21)22/h2-5,11,17H,6-10,16H2,1H3,(H,18,20)
InChIKeyNGXFJBBZDMSVNA-UHFFFAOYSA-N
XLogP1.64
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.64
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-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)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-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride
CID 119572208
N-ethoxy-3-(2-nitroanilino)propanamide
CID 51337314
N-[2-(aminomethyl)cyclohexyl]-3-(2-nitroanilino)propanamide;hydrochloride
CID 119609788
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride
CID 119572628
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-nitrobenzamide
CID 81486449
2-cyclopropyl-2-[3-(2-nitroanilino)propanoylamino]acetic acid
CID 119213261
N-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide
CID 119586024
3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride
CID 119272735
N-(1-amino-2-cyclopropylpropan-2-yl)-2-nitrobenzenesulfonamide
CID 115308023
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-bromophenyl)propanamide
CID 119575176
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(2-nitroanilino)propan-1-one
CID 119409986
N-[4-(2-methylpiperidin-1-yl)butyl]-3-(2-nitroanilino)propanamide
CID 60516197

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide (CID 119572924) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide is CC(CN)(NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide?
The InChIKey is NGXFJBBZDMSVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-15(10-16,11-6-7-11)18-14(20)8-9-17-12-4-2-3-5-13(12)19(21)22/h2-5,11,17H,6-10,16H2,1H3,(H,18,20).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide has a molecular weight of 306.37 g/mol, XLogP of 1.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide is sourced from PubChem (CID 119572924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).