2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide

C23H25NO4 — CID 131951276

IUPAC2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1CC(C(=O)NCc2cccc(OCc3ccccc3)c2)C2(CCCC2)O1
InChIInChI=1S/C23H25NO4/c25-21-14-20(23(28-21)11-4-5-12-23)22(26)24-15-18-9-6-10-19(13-18)27-16-17-7-2-1-3-8-17/h1-3,6-10,13,20H,4-5,11-12,14-16H2,(H,24,26)
InChIKeyYARZRZPHGDETNR-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.76
Rot. Bonds6

About 2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide

2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 131951276) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID131951276
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1CC(C(=O)NCc2cccc(OCc3ccccc3)c2)C2(CCCC2)O1
InChIInChI=1S/C23H25NO4/c25-21-14-20(23(28-21)11-4-5-12-23)22(26)24-15-18-9-6-10-19(13-18)27-16-17-7-2-1-3-8-17/h1-3,6-10,13,20H,4-5,11-12,14-16H2,(H,24,26)
InChIKeyYARZRZPHGDETNR-UHFFFAOYSA-N
XLogP3.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 706698
2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid
CID 122107946
(4R,5S)-N-benzyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 907016
(4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125171625
(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 97153155
(4R)-2-oxo-N-[[3-(phenoxymethyl)phenyl]methyl]imidazolidine-4-carboxamide
CID 97082817
2-(2-oxopyrrolidin-1-yl)-N-[(3-phenylmethoxyphenyl)methyl]acetamide
CID 129367971
N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 2956170
(3R,6S)-1-acetyl-6-amino-N-[(3-phenylmethoxyphenyl)methyl]azepane-3-carboxamide;hydrochloride
CID 166598822
N-(3-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decane-6-carboxamide
CID 11089893
(4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125175436
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131907170

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of 2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide (CID 131951276) is 2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for 2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide is O=C1CC(C(=O)NCc2cccc(OCc3ccccc3)c2)C2(CCCC2)O1.
What is the InChIKey of 2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is YARZRZPHGDETNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c25-21-14-20(23(28-21)11-4-5-12-23)22(26)24-15-18-9-6-10-19(13-18)27-16-17-7-2-1-3-8-17/h1-3,6-10,13,20H,4-5,11-12,14-16H2,(H,24,26).
What are the key properties of 2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide?
2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 131951276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).