N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide

C14H18N2O3 — CID 34655093

IUPACN-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide
SMILESCCc1ccc(NC(=O)C2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18N2O3/c1-2-10-7-8-12(9-13(10)16(18)19)15-14(17)11-5-3-4-6-11/h7-9,11H,2-6H2,1H3,(H,15,17)
InChIKeyXXVWWEWYIDZMMK-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.29
Rot. Bonds4

About N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide

N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide (PubChem CID 34655093) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide
PubChem CID34655093
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide
SMILESCCc1ccc(NC(=O)C2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18N2O3/c1-2-10-7-8-12(9-13(10)16(18)19)15-14(17)11-5-3-4-6-11/h7-9,11H,2-6H2,1H3,(H,15,17)
InChIKeyXXVWWEWYIDZMMK-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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'}

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Related Compounds

(3S)-N-(4-ethyl-3-nitrophenyl)piperidine-3-carboxamide
CID 81124426
N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide
CID 4114738
N-(cyclopentylmethyl)-4-ethyl-3-nitroaniline
CID 63445406
N-(4-ethyl-3-nitrophenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791163
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide
CID 79853814
5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide
CID 114014780
N-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785663
1-ethylsulfonyl-N-(4-methyl-3-nitrophenyl)piperidine-4-carboxamide
CID 18200116
2-amino-N-(4-ethyl-3-nitrophenyl)butanamide
CID 43713228
N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide
CID 79204865
N-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline
CID 43733137

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide?
The IUPAC name of N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide (CID 34655093) is N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide is CCc1ccc(NC(=O)C2CCCC2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide?
The InChIKey is XXVWWEWYIDZMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-10-7-8-12(9-13(10)16(18)19)15-14(17)11-5-3-4-6-11/h7-9,11H,2-6H2,1H3,(H,15,17).
What are the key properties of N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide?
N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide has a molecular weight of 262.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide is sourced from PubChem (CID 34655093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).