N-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide

C19H25N3O5 — CID 167846684

IUPACN-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c(C)c1
InChIInChI=1S/C19H25N3O5/c1-13-10-15(26-3)5-4-14(13)11-20-16(23)17(24)22-8-6-19(7-9-22)12-21(2)18(25)27-19/h4-5,10H,6-9,11-12H2,1-3H3,(H,20,23)
InChIKeyWRCOQRJCGIXIQU-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.06
Rot. Bonds3

About N-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide

N-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide (PubChem CID 167846684) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide
PubChem CID167846684
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC NameN-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c(C)c1
InChIInChI=1S/C19H25N3O5/c1-13-10-15(26-3)5-4-14(13)11-20-16(23)17(24)22-8-6-19(7-9-22)12-21(2)18(25)27-19/h4-5,10H,6-9,11-12H2,1-3H3,(H,20,23)
InChIKeyWRCOQRJCGIXIQU-UHFFFAOYSA-N
XLogP1.06
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(5R)-9-(4-methoxy-2-methylbenzoyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95723972
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide
CID 70714919
8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95870119
2-chloro-N-[(4-methoxy-2-methylphenyl)methyl]acetamide
CID 166403863
(5S)-9-(5-methoxy-3-methyl-1H-indole-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95711524
3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911386
(5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126424841
8-[3-(3-bromo-4-methoxyphenyl)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 166330446
(5S)-9-[3-(3,4-dimethoxyphenyl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724380
N-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide
CID 172672339
8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70768346
3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 126434188

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The IUPAC name of N-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide (CID 167846684) is N-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The canonical SMILES for N-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide is COc1ccc(CNC(=O)C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c(C)c1.
What is the InChIKey of N-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The InChIKey is WRCOQRJCGIXIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-13-10-15(26-3)5-4-14(13)11-20-16(23)17(24)22-8-6-19(7-9-22)12-21(2)18(25)27-19/h4-5,10H,6-9,11-12H2,1-3H3,(H,20,23).
What are the key properties of N-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide?
N-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide has a molecular weight of 375.43 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide is sourced from PubChem (CID 167846684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).