2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide

C15H21N3O3 — CID 799278

IUPAC2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CNC1CCCCC1
InChIInChI=1S/C15H21N3O3/c1-11-7-8-13(18(20)21)9-14(11)17-15(19)10-16-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10H2,1H3,(H,17,19)
InChIKeyYZFVZXFZUKJSDH-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.76
Rot. Bonds5

About 2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide

2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 799278) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID799278
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CNC1CCCCC1
InChIInChI=1S/C15H21N3O3/c1-11-7-8-13(18(20)21)9-14(11)17-15(19)10-16-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10H2,1H3,(H,17,19)
InChIKeyYZFVZXFZUKJSDH-UHFFFAOYSA-N
XLogP2.76
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.76
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 2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide 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

Prilocaine
CID 4906
2-[(4-fluorobenzyl)amino]-N-(2-nitrophenyl)acetamide
CID 4187904
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-nitrophenyl)methyl)amino)-
CID 454351
2-(2-Methyl-5-nitroanilino)acetohydrazide
CID 820580
N-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide
CID 898570
N-benzyl-N'-(3-nitrophenyl)butanediamide
CID 971302
2-(azepan-1-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 2461963
N~1~-cyclopentyl-N~2~-(2-methyl-5-nitrophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 2948835
2-(3-nitroanilino)-N-(3-phenylpropyl)acetamide
CID 9327204
4-Cyclohexylamino-3-nitro-1-phenyl-1H-quinolin-2-one
CID 2870345
1-Methyl-3-nitro-4-phenethylamino-1H-quinolin-2-one
CID 2877555
4-(Butylamino)-1-methyl-3-nitroquinolin-2-one
CID 2877741

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide (CID 799278) is 2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is YZFVZXFZUKJSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-7-8-13(18(20)21)9-14(11)17-15(19)10-16-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10H2,1H3,(H,17,19).
What are the key properties of 2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide?
2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 799278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).