N-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide

C17H25N3O3 — CID 119591763

IUPACN-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide
SMILESCCc1ccc(C(=O)NC(CN)C2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H25N3O3/c1-2-12-8-9-14(10-16(12)20(22)23)17(21)19-15(11-18)13-6-4-3-5-7-13/h8-10,13,15H,2-7,11,18H2,1H3,(H,19,21)
InChIKeyQSCNXLDMEGHYBM-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.79
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide

N-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide (PubChem CID 119591763) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide
PubChem CID119591763
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide
SMILESCCc1ccc(C(=O)NC(CN)C2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H25N3O3/c1-2-12-8-9-14(10-16(12)20(22)23)17(21)19-15(11-18)13-6-4-3-5-7-13/h8-10,13,15H,2-7,11,18H2,1H3,(H,19,21)
InChIKeyQSCNXLDMEGHYBM-UHFFFAOYSA-N
XLogP2.79
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.79
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 N-(2-amino-1-cyclohexylethyl)-4-ethyl-3-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

N-(2-amino-1-cyclohexylethyl)-4-methoxy-3-nitrobenzamide;hydrochloride
CID 119591436
N-(2-amino-1-cyclopropylethyl)-4-methylsulfanyl-3-nitrobenzamide;hydrochloride
CID 119616130
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide
CID 119591240
N-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide
CID 119589272
2-amino-N-(2-amino-1-cyclohexylethyl)-3-nitrobenzamide
CID 119590123
2-amino-N-(2-amino-1-cyclohexylethyl)-3-nitrobenzamide;hydrochloride
CID 119590122
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide
CID 106737541
N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 119591970
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide
CID 81485984
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide (CID 119591763) is N-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide is CCc1ccc(C(=O)NC(CN)C2CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide?
The InChIKey is QSCNXLDMEGHYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-12-8-9-14(10-16(12)20(22)23)17(21)19-15(11-18)13-6-4-3-5-7-13/h8-10,13,15H,2-7,11,18H2,1H3,(H,19,21).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide?
N-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide has a molecular weight of 319.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide is sourced from PubChem (CID 119591763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).