3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide

C15H21N3O3 — CID 62680515

IUPAC3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide
SMILESCC1CCCCC1N(C)C(=O)c1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C15H21N3O3/c1-10-5-3-4-6-13(10)17(2)15(19)11-7-8-14(18(20)21)12(16)9-11/h7-10,13H,3-6,16H2,1-2H3
InChIKeySDXKZSAIVUSDRD-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.83
Rot. Bonds3

About 3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide

3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide (PubChem CID 62680515) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide
PubChem CID62680515
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide
SMILESCC1CCCCC1N(C)C(=O)c1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C15H21N3O3/c1-10-5-3-4-6-13(10)17(2)15(19)11-7-8-14(18(20)21)12(16)9-11/h7-10,13H,3-6,16H2,1-2H3
InChIKeySDXKZSAIVUSDRD-UHFFFAOYSA-N
XLogP2.83
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-methyl-4-nitro-N-(oxan-4-yl)benzamide
CID 62680681
3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide
CID 63656778
3-amino-N-(cyclohexylmethyl)-N-methyl-4-nitrobenzamide
CID 62681600
3-amino-N-methyl-4-nitro-N-(thiolan-3-yl)benzamide
CID 62682848
3-amino-N-cyclopropyl-N-ethyl-4-nitrobenzamide
CID 62683042
N-(2-chlorocyclohexyl)-N,4-dimethyl-3-nitrobenzamide
CID 102638136
4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide
CID 107026520
N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60938543
6-bromo-N-methyl-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 66463517
4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 76912108
3,5-dihydroxy-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 103891881
N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide
CID 27859420

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide?
The IUPAC name of 3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide (CID 62680515) is 3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide is CC1CCCCC1N(C)C(=O)c1ccc([N+](=O)[O-])c(N)c1.
What is the InChIKey of 3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide?
The InChIKey is SDXKZSAIVUSDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-5-3-4-6-13(10)17(2)15(19)11-7-8-14(18(20)21)12(16)9-11/h7-10,13H,3-6,16H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide?
3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide has a molecular weight of 291.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide is sourced from PubChem (CID 62680515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).