N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide

C14H19N3O3 — CID 62312779

IUPACN-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)NC2CCC(N)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-9-3-2-4-12(13(9)17(19)20)14(18)16-11-7-5-10(15)6-8-11/h2-4,10-11H,5-8,15H2,1H3,(H,16,18)
InChIKeyRNWOOGZNEWBWIZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.90
Rot. Bonds3

About N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide

N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide (PubChem CID 62312779) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide
PubChem CID62312779
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)NC2CCC(N)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-9-3-2-4-12(13(9)17(19)20)14(18)16-11-7-5-10(15)6-8-11/h2-4,10-11H,5-8,15H2,1H3,(H,16,18)
InChIKeyRNWOOGZNEWBWIZ-UHFFFAOYSA-N
XLogP1.90
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.90
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'}

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Related Compounds

N-cyclopentyl-3-methyl-2-nitrobenzamide
CID 890353
3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66033111
N-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride
CID 119474933
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114
N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride
CID 119476368
methyl (3S)-3-[(3-methyl-2-nitrobenzoyl)amino]piperidine-1-carboxylate
CID 95158874
3-amino-N-cyclohexyl-2-nitrobenzamide
CID 115548193
3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide
CID 46520515
N-(4-aminocyclohexyl)-4-chloro-2-nitrobenzamide
CID 62313306
N-(1-amino-2-methylpropan-2-yl)-3-methyl-2-nitrobenzamide
CID 63193492
2-methyl-N-[4-(methylamino)cyclohexyl]-3-nitrobenzamide
CID 79117750
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide (CID 62312779) is N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide is Cc1cccc(C(=O)NC2CCC(N)CC2)c1[N+](=O)[O-].
What is the InChIKey of N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide?
The InChIKey is RNWOOGZNEWBWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-3-2-4-12(13(9)17(19)20)14(18)16-11-7-5-10(15)6-8-11/h2-4,10-11H,5-8,15H2,1H3,(H,16,18).
What are the key properties of N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide?
N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 62312779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).