2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide

C15H21N3O3 — CID 62173702

IUPAC2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NC1(C)CCCCC1
InChIInChI=1S/C15H21N3O3/c1-15(8-4-3-5-9-15)17-14(19)12-10-11(18(20)21)6-7-13(12)16-2/h6-7,10,16H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyDFSATIDFPFAEDA-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.09
Rot. Bonds4

About 2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide

2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide (PubChem CID 62173702) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide
PubChem CID62173702
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NC1(C)CCCCC1
InChIInChI=1S/C15H21N3O3/c1-15(8-4-3-5-9-15)17-14(19)12-10-11(18(20)21)6-7-13(12)16-2/h6-7,10,16H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyDFSATIDFPFAEDA-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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 2-(methylamino)-N-(1-methylcyclohexyl)-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

2-(methylamino)-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63822125
N-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide
CID 103741365
N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide
CID 47113861
2-[(1-hydroxycyclohexyl)methylamino]-N-methyl-5-nitrobenzamide
CID 133447679
N-(1-amino-1-oxopropan-2-yl)-2-(methylamino)-5-nitrobenzamide
CID 60698893
2-iodo-N-(4-methyloxan-4-yl)-5-nitrobenzamide
CID 115759649
2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide
CID 104599377
5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide
CID 61216845
N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 24531986
N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide
CID 60656170
N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide
CID 63837382
[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(methylamino)-5-nitrobenzoate
CID 9485706

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide?
The IUPAC name of 2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide (CID 62173702) is 2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide.
What is the SMILES notation for 2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide?
The canonical SMILES for 2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)NC1(C)CCCCC1.
What is the InChIKey of 2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide?
The InChIKey is DFSATIDFPFAEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(8-4-3-5-9-15)17-14(19)12-10-11(18(20)21)6-7-13(12)16-2/h6-7,10,16H,3-5,8-9H2,1-2H3,(H,17,19).
What are the key properties of 2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide?
2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide has a molecular weight of 291.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide is sourced from PubChem (CID 62173702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).