2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide

C15H21N3O3 — CID 115678607

IUPAC2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide
SMILESCN(CC1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C15H21N3O3/c1-17(10-11-6-3-2-4-7-11)15(19)12-8-5-9-13(14(12)16)18(20)21/h5,8-9,11H,2-4,6-7,10,16H2,1H3
InChIKeyAETQSNNDQJGPKD-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.83
Rot. Bonds4

About 2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide

2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide (PubChem CID 115678607) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide
PubChem CID115678607
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide
SMILESCN(CC1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C15H21N3O3/c1-17(10-11-6-3-2-4-7-11)15(19)12-8-5-9-13(14(12)16)18(20)21/h5,8-9,11H,2-4,6-7,10,16H2,1H3
InChIKeyAETQSNNDQJGPKD-UHFFFAOYSA-N
XLogP2.83
TPSA89.47 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 ≤ 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

2-amino-N-(cyclobutylmethyl)-N-methyl-3-nitrobenzamide
CID 112696757
2-amino-N-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide
CID 115878724
2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide
CID 115679005
3-amino-N-(cyclohexylmethyl)-N-methyl-4-nitrobenzamide
CID 62681600
2-amino-N,N-dimethyl-3-nitrobenzamide
CID 58736106
3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 61109740
3-chloro-N-(cyclobutylmethyl)-N-methyl-2-nitrobenzamide
CID 79832037
3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide
CID 63656778
N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 63655560
N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82828965
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzamide
CID 63656583
4-bromo-N-(cyclopentylmethyl)-N-methyl-3-nitrobenzamide
CID 63632321

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide?
The IUPAC name of 2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide (CID 115678607) is 2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide is CN(CC1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide?
The InChIKey is AETQSNNDQJGPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17(10-11-6-3-2-4-7-11)15(19)12-8-5-9-13(14(12)16)18(20)21/h5,8-9,11H,2-4,6-7,10,16H2,1H3.
What are the key properties of 2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide?
2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide has a molecular weight of 291.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 115678607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).