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

C15H21N3O3 — CID 62168308

IUPAC5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)NC2CCCC(C)C2)c1
InChIInChI=1S/C15H21N3O3/c1-10-4-3-5-12(8-10)17-15(19)13-9-11(16-2)6-7-14(13)18(20)21/h6-7,9-10,12,16H,3-5,8H2,1-2H3,(H,17,19)
InChIKeyDDVVJELSCDRNFG-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.94
Rot. Bonds4

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

5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide (PubChem CID 62168308) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide
PubChem CID62168308
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)NC2CCCC(C)C2)c1
InChIInChI=1S/C15H21N3O3/c1-10-4-3-5-12(8-10)17-15(19)13-9-11(16-2)6-7-14(13)18(20)21/h6-7,9-10,12,16H,3-5,8H2,1-2H3,(H,17,19)
InChIKeyDDVVJELSCDRNFG-UHFFFAOYSA-N
XLogP2.94
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
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 5-(methylamino)-N-(3-methylcyclohexyl)-2-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-cyclopropyl-5-(methylamino)-2-nitrobenzamide
CID 62172017
5-(methylamino)-2-nitro-N-(oxan-4-yl)benzamide
CID 62170106
2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43244113
N-(2-cyclopentylethyl)-5-(methylamino)-2-nitrobenzamide
CID 62180578
2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43377638
N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide
CID 62168648
N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834
5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide
CID 62156540
N-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide
CID 62408663
N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 62170323
1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
CID 141437065
5-(ethylamino)-N-(2-methylcyclopropyl)-2-nitrobenzamide
CID 62408662

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide?
The IUPAC name of 5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide (CID 62168308) is 5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide.
What is the SMILES notation for 5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide?
The canonical SMILES for 5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide is CNc1ccc([N+](=O)[O-])c(C(=O)NC2CCCC(C)C2)c1.
What is the InChIKey of 5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide?
The InChIKey is DDVVJELSCDRNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-4-3-5-12(8-10)17-15(19)13-9-11(16-2)6-7-14(13)18(20)21/h6-7,9-10,12,16H,3-5,8H2,1-2H3,(H,17,19).
What are the key properties of 5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide?
5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide has a molecular weight of 291.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide is sourced from PubChem (CID 62168308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).