N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide

C15H21N3O3 — CID 17396951

IUPACN-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide
SMILESCNc1ccc(C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-16-13-9-8-11(10-14(13)18(20)21)15(19)17(2)12-6-4-3-5-7-12/h8-10,12,16H,3-7H2,1-2H3
InChIKeyAXPICXPMKDSNCQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.04
Rot. Bonds4

About N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide

N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide (PubChem CID 17396951) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide
PubChem CID17396951
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide
SMILESCNc1ccc(C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-16-13-9-8-11(10-14(13)18(20)21)15(19)17(2)12-6-4-3-5-7-12/h8-10,12,16H,3-7H2,1-2H3
InChIKeyAXPICXPMKDSNCQ-UHFFFAOYSA-N
XLogP3.04
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.04
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'}

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Related Compounds

N-cyclobutyl-N-methyl-4-(methylamino)-3-nitrobenzamide
CID 115649333
tert-butyl N-[3-[4-[cyclohexyl(methyl)carbamoyl]-2-nitroanilino]cyclobutyl]carbamate
CID 126737502
N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide
CID 2969969
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate
CID 7650963
N-methyl-3-(methylamino)-4-nitro-N-(thiolan-3-yl)benzamide
CID 62682849
4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 134047047
3,4-dichloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
CID 43216446
N-(cyclopropylmethyl)-4-(methylamino)-3-nitrobenzamide
CID 33451394
N-cyclohexyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide
CID 27670596
4-(ethylamino)-N-methyl-3-nitro-N-(thiolan-3-yl)benzamide
CID 62168467
3,4-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide
CID 115649173
N-cyclopropyl-4-fluoro-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 62168087

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide (CID 17396951) is N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide is CNc1ccc(C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide?
The InChIKey is AXPICXPMKDSNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16-13-9-8-11(10-14(13)18(20)21)15(19)17(2)12-6-4-3-5-7-12/h8-10,12,16H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide?
N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide has a molecular weight of 291.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide is sourced from PubChem (CID 17396951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).