N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide

C17H25N3O5 — CID 119591240

IUPACN-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide
SMILESCOc1cc(C(=O)NC(CN)C2CCCCC2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H25N3O5/c1-24-15-8-12(14(20(22)23)9-16(15)25-2)17(21)19-13(10-18)11-6-4-3-5-7-11/h8-9,11,13H,3-7,10,18H2,1-2H3,(H,19,21)
InChIKeyWPYQESRUNKMVSR-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.25
Rot. Bonds7

About N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide

N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide (PubChem CID 119591240) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide
PubChem CID119591240
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide
SMILESCOc1cc(C(=O)NC(CN)C2CCCCC2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H25N3O5/c1-24-15-8-12(14(20(22)23)9-16(15)25-2)17(21)19-13(10-18)11-6-4-3-5-7-11/h8-9,11,13H,3-7,10,18H2,1-2H3,(H,19,21)
InChIKeyWPYQESRUNKMVSR-UHFFFAOYSA-N
XLogP2.25
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-4,5-dimethoxy-2-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)-2-methoxy-5-nitrobenzamide;hydrochloride
CID 119591922
N-(2-amino-1-cyclohexylethyl)-4-methoxy-3-nitrobenzamide;hydrochloride
CID 119591436
N-(2-amino-1-cyclopropylethyl)-5-methoxy-2-nitro-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
CID 119616375
N-(2-amino-1-cyclopropylethyl)-2-methoxy-4-nitrobenzamide
CID 104783824
N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36681735
2-amino-N-(2-amino-1-cyclohexylethyl)-3-nitrobenzamide
CID 119590123
N-cyclooctyl-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 35532421
2-amino-N-(2-amino-1-cyclohexylethyl)-3-nitrobenzamide;hydrochloride
CID 119590122
N-(2-amino-1-cyclopentylethyl)-4-chloro-2-methoxybenzamide
CID 106737554
N-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide
CID 119591763
N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119592013
N-(2-amino-1-cyclohexylethyl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide
CID 119589146

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide (CID 119591240) is N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide is COc1cc(C(=O)NC(CN)C2CCCCC2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide?
The InChIKey is WPYQESRUNKMVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-24-15-8-12(14(20(22)23)9-16(15)25-2)17(21)19-13(10-18)11-6-4-3-5-7-11/h8-9,11,13H,3-7,10,18H2,1-2H3,(H,19,21).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide?
N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide has a molecular weight of 351.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide is sourced from PubChem (CID 119591240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).