2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide

C17H23N3O3 — CID 46444137

IUPAC2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C2CC2)C(C)C2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H23N3O3/c1-11-3-8-15(16(9-11)20(22)23)18-17(21)10-19(14-6-7-14)12(2)13-4-5-13/h3,8-9,12-14H,4-7,10H2,1-2H3,(H,18,21)
InChIKeyXEHACAUWUJEUBQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.10
Rot. Bonds7

About 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide

2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 46444137) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID46444137
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C2CC2)C(C)C2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H23N3O3/c1-11-3-8-15(16(9-11)20(22)23)18-17(21)10-19(14-6-7-14)12(2)13-4-5-13/h3,8-9,12-14H,4-7,10H2,1-2H3,(H,18,21)
InChIKeyXEHACAUWUJEUBQ-UHFFFAOYSA-N
XLogP3.10
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
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'}

Analyze 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide 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-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]acetamide
CID 46444172
N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide
CID 112604437
2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 55868218
2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide
CID 51965724
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
2-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 122083115
2-[[(1R)-1-(2-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide
CID 51961221
2-[[(1S)-1-(2-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide
CID 51961219
7-amino-N-(4-methyl-2-nitrophenyl)heptanamide
CID 43708379
N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide
CID 111432003

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide (CID 46444137) is 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide is Cc1ccc(NC(=O)CN(C2CC2)C(C)C2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is XEHACAUWUJEUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-3-8-15(16(9-11)20(22)23)18-17(21)10-19(14-6-7-14)12(2)13-4-5-13/h3,8-9,12-14H,4-7,10H2,1-2H3,(H,18,21).
What are the key properties of 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide?
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 46444137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).