4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide

C13H17N3O3 — CID 60848648

IUPAC4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C13H17N3O3/c14-10-3-1-9(2-4-10)13(17)15-11-5-7-12(8-6-11)16(18)19/h5-10H,1-4,14H2,(H,15,17)
InChIKeyGZDSRGVSENMROJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.05
Rot. Bonds3

About 4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide

4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide (PubChem CID 60848648) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide
PubChem CID60848648
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C13H17N3O3/c14-10-3-1-9(2-4-10)13(17)15-11-5-7-12(8-6-11)16(18)19/h5-10H,1-4,14H2,(H,15,17)
InChIKeyGZDSRGVSENMROJ-UHFFFAOYSA-N
XLogP2.05
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.05
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 4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide 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

1-acetyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 108792167
4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 60847909
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
N-[(4-nitrophenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924453
(1S,5S)-N-(4-nitrophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50938320
N-[(4-nitrophenyl)carbamothioyl]cyclohexanecarboxamide
CID 3335172
4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 2950913
4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 11893168
1-acetyl-N-(4-nitrophenyl)azetidine-3-carboxamide
CID 90511424
4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 60847830
4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide
CID 106911851
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide (CID 60848648) is 4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide is NC1CCC(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide?
The InChIKey is GZDSRGVSENMROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-10-3-1-9(2-4-10)13(17)15-11-5-7-12(8-6-11)16(18)19/h5-10H,1-4,14H2,(H,15,17).
What are the key properties of 4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide?
4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60848648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).