2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide

C20H29N3O3 — CID 131652331

IUPAC2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCOc1ccc(CN2CCC3(CCCN(C(=O)NC(C)C)C3)C2=O)cc1
InChIInChI=1S/C20H29N3O3/c1-15(2)21-19(25)23-11-4-9-20(14-23)10-12-22(18(20)24)13-16-5-7-17(26-3)8-6-16/h5-8,15H,4,9-14H2,1-3H3,(H,21,25)
InChIKeyYCNIZOOXMMOOOP-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.63
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide

2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide (PubChem CID 131652331) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
PubChem CID131652331
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCOc1ccc(CN2CCC3(CCCN(C(=O)NC(C)C)C3)C2=O)cc1
InChIInChI=1S/C20H29N3O3/c1-15(2)21-19(25)23-11-4-9-20(14-23)10-12-22(18(20)24)13-16-5-7-17(26-3)8-6-16/h5-8,15H,4,9-14H2,1-3H3,(H,21,25)
InChIKeyYCNIZOOXMMOOOP-UHFFFAOYSA-N
XLogP2.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide with MolForge

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Related Compounds

(5S)-1-oxo-N-propan-2-yl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 97490201
(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-6-oxo-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 26412671
tert-butyl 2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 171080628
(5S)-7-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97205006
2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 91909934
(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42298060
(5S)-2-(2-methylpropanoyl)-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26412240
N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 131649044
(5S)-7-[(3-methoxyphenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 26320528
N-butyl-7-[(3-methoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 45212624
7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45226503
2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074122

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide (CID 131652331) is 2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide is COc1ccc(CN2CCC3(CCCN(C(=O)NC(C)C)C3)C2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide?
The InChIKey is YCNIZOOXMMOOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15(2)21-19(25)23-11-4-9-20(14-23)10-12-22(18(20)24)13-16-5-7-17(26-3)8-6-16/h5-8,15H,4,9-14H2,1-3H3,(H,21,25).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide?
2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.63, 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]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 131652331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).