7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide

C19H25NO4 — CID 3239408

IUPAC7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide
SMILESCC1(C)CC2(CCO1)OC(=O)CC2C(=O)NCCc1ccccc1
InChIInChI=1S/C19H25NO4/c1-18(2)13-19(9-11-23-18)15(12-16(21)24-19)17(22)20-10-8-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,20,22)
InChIKeyPZWMTOWLOGJACX-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.24
Rot. Bonds4

About 7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide

7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide (PubChem CID 3239408) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide
PubChem CID3239408
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide
SMILESCC1(C)CC2(CCO1)OC(=O)CC2C(=O)NCCc1ccccc1
InChIInChI=1S/C19H25NO4/c1-18(2)13-19(9-11-23-18)15(12-16(21)24-19)17(22)20-10-8-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,20,22)
InChIKeyPZWMTOWLOGJACX-UHFFFAOYSA-N
XLogP2.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide with MolForge

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Related Compounds

(4R,5S)-N-benzyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 907016
(4R,5R)-7,7-dimethyl-N-(2-methylphenyl)-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 752068
7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 537023
(4R,5S)-N-(3,4-dichlorophenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 1267467
(4R,5S)-7,7-dimethyl-N-(4-nitrophenyl)-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 7396088
(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide
CID 930235
N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 3077984
N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131927808
N-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide
CID 92619131
4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 59396553
(1S,6S)-3,4-dimethyl-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 841445
4,7,7-trimethyl-3-oxo-N-(2-phenylethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 2941015

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide (CID 3239408) is 7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide is CC1(C)CC2(CCO1)OC(=O)CC2C(=O)NCCc1ccccc1.
What is the InChIKey of 7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide?
The InChIKey is PZWMTOWLOGJACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-18(2)13-19(9-11-23-18)15(12-16(21)24-19)17(22)20-10-8-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,20,22).
What are the key properties of 7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide?
7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide has a molecular weight of 331.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 3239408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).