2-benzyl-1-oxo-N-phenyl-2-azaspiro[4.4]non-7-ene-8-carboxamide

C22H22N2O2 — CID 11484787

IUPAC2-benzyl-1-oxo-N-phenyl-2-azaspiro[4.4]non-7-ene-8-carboxamide
SMILESO=C(Nc1ccccc1)C1=CCC2(CCN(Cc3ccccc3)C2=O)C1
InChIInChI=1S/C22H22N2O2/c25-20(23-19-9-5-2-6-10-19)18-11-12-22(15-18)13-14-24(21(22)26)16-17-7-3-1-4-8-17/h1-11H,12-16H2,(H,23,25)
InChIKeyDEBRDMIASGQGRK-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.76
Rot. Bonds4

About 2-benzyl-1-oxo-N-phenyl-2-azaspiro[4.4]non-7-ene-8-carboxamide

2-benzyl-1-oxo-N-phenyl-2-azaspiro[4.4]non-7-ene-8-carboxamide (PubChem CID 11484787) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-benzyl-1-oxo-N-phenyl-2-azaspiro[4.4]non-7-ene-8-carboxamide.

Molecular Properties

Compound Name2-benzyl-1-oxo-N-phenyl-2-azaspiro[4.4]non-7-ene-8-carboxamide
PubChem CID11484787
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-benzyl-1-oxo-N-phenyl-2-azaspiro[4.4]non-7-ene-8-carboxamide
SMILESO=C(Nc1ccccc1)C1=CCC2(CCN(Cc3ccccc3)C2=O)C1
InChIInChI=1S/C22H22N2O2/c25-20(23-19-9-5-2-6-10-19)18-11-12-22(15-18)13-14-24(21(22)26)16-17-7-3-1-4-8-17/h1-11H,12-16H2,(H,23,25)
InChIKeyDEBRDMIASGQGRK-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7R)-1'-benzyl-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619527
(3S)-1-benzyl-3-hydroxy-2-oxopyrrolidine-3-carboxylic acid
CID 118570434
N-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide
CID 11397835
2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one
CID 126703053
2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 91909934
5-benzyl-5-azaspiro[2.3]hexan-6-one
CID 11492070
ethyl 1-benzyl-3-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 123926319
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide
CID 50754409
2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 71771055
9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
CID 162631678
1'-[(4-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylic acid
CID 159318496
3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid
CID 163498123

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-oxo-N-phenyl-2-azaspiro[4.4]non-7-ene-8-carboxamide?
The IUPAC name of 2-benzyl-1-oxo-N-phenyl-2-azaspiro[4.4]non-7-ene-8-carboxamide (CID 11484787) is 2-benzyl-1-oxo-N-phenyl-2-azaspiro[4.4]non-7-ene-8-carboxamide.
What is the SMILES notation for 2-benzyl-1-oxo-N-phenyl-2-azaspiro[4.4]non-7-ene-8-carboxamide?
The canonical SMILES for 2-benzyl-1-oxo-N-phenyl-2-azaspiro[4.4]non-7-ene-8-carboxamide is O=C(Nc1ccccc1)C1=CCC2(CCN(Cc3ccccc3)C2=O)C1.
What is the InChIKey of 2-benzyl-1-oxo-N-phenyl-2-azaspiro[4.4]non-7-ene-8-carboxamide?
The InChIKey is DEBRDMIASGQGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-20(23-19-9-5-2-6-10-19)18-11-12-22(15-18)13-14-24(21(22)26)16-17-7-3-1-4-8-17/h1-11H,12-16H2,(H,23,25).
What are the key properties of 2-benzyl-1-oxo-N-phenyl-2-azaspiro[4.4]non-7-ene-8-carboxamide?
2-benzyl-1-oxo-N-phenyl-2-azaspiro[4.4]non-7-ene-8-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-oxo-N-phenyl-2-azaspiro[4.4]non-7-ene-8-carboxamide is sourced from PubChem (CID 11484787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).