2-methoxy-1-[9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone

C20H30N2O2 — CID 97450375

IUPAC2-methoxy-1-[9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
SMILESCOCC(=O)N1CCC2(CCN(Cc3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C20H30N2O2/c1-17-3-5-18(6-4-17)15-21-11-7-20(8-12-21)9-13-22(14-10-20)19(23)16-24-2/h3-6H,7-16H2,1-2H3
InChIKeyFDHJYFMSLWSEOV-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.85
Rot. Bonds4

About 2-methoxy-1-[9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone

2-methoxy-1-[9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone (PubChem CID 97450375) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-methoxy-1-[9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
PubChem CID97450375
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-methoxy-1-[9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
SMILESCOCC(=O)N1CCC2(CCN(Cc3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C20H30N2O2/c1-17-3-5-18(6-4-17)15-21-11-7-20(8-12-21)9-13-22(14-10-20)19(23)16-24-2/h3-6H,7-16H2,1-2H3
InChIKeyFDHJYFMSLWSEOV-UHFFFAOYSA-N
XLogP2.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522011
2,4-Dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560871
(2R)-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560990
2,2,4-Trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560993
(2R)-2-ethyl-4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561057
(2R)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561095
4-Ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561097
4-Benzyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562403
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
Methyl 2-benzyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3232804
1-(9-Benzhydryl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3234683
4-[(3-Acetyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]benzonitrile
CID 3235461

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
The IUPAC name of 2-methoxy-1-[9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone (CID 97450375) is 2-methoxy-1-[9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone is COCC(=O)N1CCC2(CCN(Cc3ccc(C)cc3)CC2)CC1.
What is the InChIKey of 2-methoxy-1-[9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
The InChIKey is FDHJYFMSLWSEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-17-3-5-18(6-4-17)15-21-11-7-20(8-12-21)9-13-22(14-10-20)19(23)16-24-2/h3-6H,7-16H2,1-2H3.
What are the key properties of 2-methoxy-1-[9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
2-methoxy-1-[9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone has a molecular weight of 330.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone is sourced from PubChem (CID 97450375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).