2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C22H25N3O3 — CID 91909934

IUPAC2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCOc1ccc(CN2CC3(CCN(C(=O)Nc4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C22H25N3O3/c1-28-19-9-7-17(8-10-19)15-25-16-22(20(25)26)11-13-24(14-12-22)21(27)23-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,27)
InChIKeyLMWRNQVMDSTXTL-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.35
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 91909934) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID91909934
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCOc1ccc(CN2CC3(CCN(C(=O)Nc4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C22H25N3O3/c1-28-19-9-7-17(8-10-19)15-25-16-22(20(25)26)11-13-24(14-12-22)21(27)23-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,27)
InChIKeyLMWRNQVMDSTXTL-UHFFFAOYSA-N
XLogP3.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 91909937
7-benzylsulfonyl-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 91909942
2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 131652331
2-(2-methoxyethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 97472859
N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide
CID 175645180
3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 107323777
tert-butyl 2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 171080628
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
5-benzyl-5-azaspiro[2.3]hexan-6-one
CID 11492070
1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea
CID 142988121
(3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one
CID 24756264

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 91909934) is 2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is COc1ccc(CN2CC3(CCN(C(=O)Nc4ccccc4)CC3)C2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is LMWRNQVMDSTXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-28-19-9-7-17(8-10-19)15-25-16-22(20(25)26)11-13-24(14-12-22)21(27)23-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,27).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 91909934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).