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

C17H20N2O6 — CID 7381302

IUPAC(4R)-N-(2-methoxy-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)OC12CCCCC2
InChIInChI=1S/C17H20N2O6/c1-24-14-9-11(19(22)23)5-6-13(14)18-16(21)12-10-15(20)25-17(12)7-3-2-4-8-17/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyLCZASDAFYIJYLA-LBPRGKRZSA-N
MW348.36 g/mol
LogP2.81
Rot. Bonds4

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

(4R)-N-(2-methoxy-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 7381302) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is (4R)-N-(2-methoxy-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2-methoxy-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID7381302
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name(4R)-N-(2-methoxy-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)OC12CCCCC2
InChIInChI=1S/C17H20N2O6/c1-24-14-9-11(19(22)23)5-6-13(14)18-16(21)12-10-15(20)25-17(12)7-3-2-4-8-17/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyLCZASDAFYIJYLA-LBPRGKRZSA-N
XLogP2.81
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(2-methyl-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 2921214
(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
2-[1-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 4080153
1-[(2-methoxy-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62881395
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7610599
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934
N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 63007363
1-tert-butyl-N-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081161
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
(2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 7477454
2-(azepan-1-ium-1-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8025227

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2-methoxy-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4R)-N-(2-methoxy-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 7381302) is (4R)-N-(2-methoxy-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4R)-N-(2-methoxy-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4R)-N-(2-methoxy-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)OC12CCCCC2.
What is the InChIKey of (4R)-N-(2-methoxy-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is LCZASDAFYIJYLA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-24-14-9-11(19(22)23)5-6-13(14)18-16(21)12-10-15(20)25-17(12)7-3-2-4-8-17/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,18,21)/t12-/m0/s1.
What are the key properties of (4R)-N-(2-methoxy-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
(4R)-N-(2-methoxy-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2-methoxy-4-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 7381302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).