N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide

C14H17N3O4 — CID 18588885

IUPACN-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C14H17N3O4/c1-9-6-7-11(17(20)21)8-12(9)16-14(19)13(18)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,18)(H,16,19)
InChIKeySCPWHLIDLSDUBM-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.90
Rot. Bonds3

About N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide

N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide (PubChem CID 18588885) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide
PubChem CID18588885
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C14H17N3O4/c1-9-6-7-11(17(20)21)8-12(9)16-14(19)13(18)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,18)(H,16,19)
InChIKeySCPWHLIDLSDUBM-UHFFFAOYSA-N
XLogP1.90
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
N-cyclopentyl-N'-(2-methylphenyl)oxamide
CID 2290931
2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977998
1-[(1S,2R)-2-methylcyclohexyl]-3-(2-methyl-5-nitrophenyl)thiourea
CID 8620245
(4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5286985
1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 99817602
trans-(1R,2R)-3-methylidene-1-N,2-N-bis(2-methyl-5-nitrophenyl)cyclopropane-1,2-dicarboxamide
CID 2327600
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 108804425
N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90535613
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 176536965

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide?
The IUPAC name of N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide (CID 18588885) is N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide.
What is the SMILES notation for N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide?
The canonical SMILES for N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide?
The InChIKey is SCPWHLIDLSDUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-9-6-7-11(17(20)21)8-12(9)16-14(19)13(18)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide?
N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide has a molecular weight of 291.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide is sourced from PubChem (CID 18588885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).