N-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

C17H20N2O5 — CID 2921214

IUPACN-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C1CC(=O)OC12CCCCC2
InChIInChI=1S/C17H20N2O5/c1-11-9-12(19(22)23)5-6-14(11)18-16(21)13-10-15(20)24-17(13)7-3-2-4-8-17/h5-6,9,13H,2-4,7-8,10H2,1H3,(H,18,21)
InChIKeyXDFQTPMFPGDBGI-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.11
Rot. Bonds3

About N-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

N-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 2921214) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID2921214
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC NameN-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C1CC(=O)OC12CCCCC2
InChIInChI=1S/C17H20N2O5/c1-11-9-12(19(22)23)5-6-14(11)18-16(21)13-10-15(20)24-17(13)7-3-2-4-8-17/h5-6,9,13H,2-4,7-8,10H2,1H3,(H,18,21)
InChIKeyXDFQTPMFPGDBGI-UHFFFAOYSA-N
XLogP3.11
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide 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

(4R)-N-(2-methoxy-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7381302
(4S)-N-(4-methyl-2-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7290800
(4S)-N-(4-chloro-2-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7381271
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
(4R,5S)-7,7-dimethyl-N-(4-nitrophenyl)-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 7396088
methyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 17067536
1-[(2-methyl-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096808
cis-(1S,2R)-2-[(2-methyl-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93366490
2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide
CID 64824134
ethyl (4S)-6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 40771915
N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide
CID 43708505
4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide
CID 66240231

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 2921214) is N-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CC(=O)OC12CCCCC2.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is XDFQTPMFPGDBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-11-9-12(19(22)23)5-6-14(11)18-16(21)13-10-15(20)24-17(13)7-3-2-4-8-17/h5-6,9,13H,2-4,7-8,10H2,1H3,(H,18,21).
What are the key properties of N-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
N-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 2921214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).