2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide

C15H21N3O3 — CID 65242627

IUPAC2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide
SMILESCNC1(CC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1
InChIInChI=1S/C15H21N3O3/c1-16-15(9-5-2-6-10-15)11-14(19)17-12-7-3-4-8-13(12)18(20)21/h3-4,7-8,16H,2,5-6,9-11H2,1H3,(H,17,19)
InChIKeySXXZWNICSHAFCT-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.85
Rot. Bonds5

About 2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide

2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide (PubChem CID 65242627) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide
PubChem CID65242627
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide
SMILESCNC1(CC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1
InChIInChI=1S/C15H21N3O3/c1-16-15(9-5-2-6-10-15)11-14(19)17-12-7-3-4-8-13(12)18(20)21/h3-4,7-8,16H,2,5-6,9-11H2,1H3,(H,17,19)
InChIKeySXXZWNICSHAFCT-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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

2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid
CID 65242547
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
N-[2-(1-hydroxyethyl)phenyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241986
N-(1-ethylcyclohexyl)-2-nitroaniline
CID 171544439
2-[1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 39729008
N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 2877363
1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide
CID 103604334
N-(2-nitrophenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7479162
3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991
2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide
CID 54917838
2-[1-[3-(2-nitroanilino)propanoylamino]cyclobutyl]acetic acid
CID 119217311
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide (CID 65242627) is 2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide is CNC1(CC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide?
The InChIKey is SXXZWNICSHAFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16-15(9-5-2-6-10-15)11-14(19)17-12-7-3-4-8-13(12)18(20)21/h3-4,7-8,16H,2,5-6,9-11H2,1H3,(H,17,19).
What are the key properties of 2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide?
2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 65242627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).