2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide

C14H18N2O3 — CID 9395610

IUPAC2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CC2CCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H18N2O3/c1-10-12(7-4-8-13(10)16(18)19)15-14(17)9-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,15,17)
InChIKeyUHBJQBXGNXKTGC-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.42
Rot. Bonds4

About 2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide

2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 9395610) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID9395610
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CC2CCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H18N2O3/c1-10-12(7-4-8-13(10)16(18)19)15-14(17)9-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,15,17)
InChIKeyUHBJQBXGNXKTGC-UHFFFAOYSA-N
XLogP3.42
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-cyclopentyl-N-(2-methyl-3-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

3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 890273
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 21175281
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-methyl-3-nitrophenyl)propanamide
CID 9395316
cis-(1R,2S)-2-[(2-methyl-3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 675791
cis-(1S,2R)-2-[(2-methyl-3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6920123
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327
N-(2-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676039
(2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide
CID 104913038
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 51272573
2-[1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 39729008

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide (CID 9395610) is 2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide is Cc1c(NC(=O)CC2CCCC2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is UHBJQBXGNXKTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-12(7-4-8-13(10)16(18)19)15-14(17)9-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,15,17).
What are the key properties of 2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide?
2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 9395610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).