4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide

C15H21N3O3 — CID 103145443

IUPAC4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(=O)C1CCC(N)CC1
InChIInChI=1S/C15H21N3O3/c1-9-8-14(18(20)21)10(2)7-13(9)17-15(19)11-3-5-12(16)6-4-11/h7-8,11-12H,3-6,16H2,1-2H3,(H,17,19)
InChIKeyOCUCFGSNXTZHRM-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.67
Rot. Bonds3

About 4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide

4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide (PubChem CID 103145443) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide
PubChem CID103145443
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(=O)C1CCC(N)CC1
InChIInChI=1S/C15H21N3O3/c1-9-8-14(18(20)21)10(2)7-13(9)17-15(19)11-3-5-12(16)6-4-11/h7-8,11-12H,3-6,16H2,1-2H3,(H,17,19)
InChIKeyOCUCFGSNXTZHRM-UHFFFAOYSA-N
XLogP2.67
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.67
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-(2,5-dimethyl-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 103145465
4-amino-N-(2,4-difluoro-5-nitrophenyl)cyclohexane-1-carboxamide
CID 60850684
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine
CID 104757646
N-(2,5-dimethyl-4-nitrophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 103145425
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
N-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 103145405
N-(2,5-dimethyl-4-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 103145458
2-(cyclopentylamino)-N-(2,5-dimethyl-4-nitrophenyl)acetamide
CID 103145357
3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide
CID 115161310
3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide
CID 103145444

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide (CID 103145443) is 4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide is Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide?
The InChIKey is OCUCFGSNXTZHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9-8-14(18(20)21)10(2)7-13(9)17-15(19)11-3-5-12(16)6-4-11/h7-8,11-12H,3-6,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide?
4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103145443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).