N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide

C14H19N3O3 — CID 115635942

IUPACN-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NCCCC1CC1
InChIInChI=1S/C14H19N3O3/c1-15-13-7-6-11(17(19)20)9-12(13)14(18)16-8-2-3-10-4-5-10/h6-7,9-10,15H,2-5,8H2,1H3,(H,16,18)
InChIKeyAITPEUQNBVNSBP-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.56
Rot. Bonds7

About N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide

N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide (PubChem CID 115635942) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide
PubChem CID115635942
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NCCCC1CC1
InChIInChI=1S/C14H19N3O3/c1-15-13-7-6-11(17(19)20)9-12(13)14(18)16-8-2-3-10-4-5-10/h6-7,9-10,15H,2-5,8H2,1H3,(H,16,18)
InChIKeyAITPEUQNBVNSBP-UHFFFAOYSA-N
XLogP2.56
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.56
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-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide 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-(3-methoxypropyl)-2-(methylamino)-5-nitrobenzamide
CID 35513765
2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide
CID 104877743
N-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide
CID 106013508
2-(methylamino)-N-(2-methylsulfinylethyl)-5-nitrobenzamide
CID 115616666
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 107420613
N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide
CID 60656170
2-(methylamino)-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63822125
2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide
CID 115588576
2-(methylamino)-N-(3-methylsulfinylbutyl)-5-nitrobenzamide
CID 115729431
2-(cycloheptylamino)-N-hexyl-5-nitrobenzamide
CID 22467514
N-[2-(2,2-difluoroethoxy)ethyl]-2-(methylamino)-5-nitrobenzamide
CID 103097014
2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide
CID 62241467

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide?
The IUPAC name of N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide (CID 115635942) is N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide.
What is the SMILES notation for N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide?
The canonical SMILES for N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)NCCCC1CC1.
What is the InChIKey of N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide?
The InChIKey is AITPEUQNBVNSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-15-13-7-6-11(17(19)20)9-12(13)14(18)16-8-2-3-10-4-5-10/h6-7,9-10,15H,2-5,8H2,1H3,(H,16,18).
What are the key properties of N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide?
N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide is sourced from PubChem (CID 115635942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).