2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C21H30N2O3 — CID 134077627

IUPAC2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(CC(=O)N2CC(C(=O)NC(C)C)C3(CCOCC3)C2)cc1
InChIInChI=1S/C21H30N2O3/c1-15(2)22-20(25)18-13-23(14-21(18)8-10-26-11-9-21)19(24)12-17-6-4-16(3)5-7-17/h4-7,15,18H,8-14H2,1-3H3,(H,22,25)
InChIKeySFPWITUHYODWKP-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.32
Rot. Bonds4

About 2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 134077627) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID134077627
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(CC(=O)N2CC(C(=O)NC(C)C)C3(CCOCC3)C2)cc1
InChIInChI=1S/C21H30N2O3/c1-15(2)22-20(25)18-13-23(14-21(18)8-10-26-11-9-21)19(24)12-17-6-4-16(3)5-7-17/h4-7,15,18H,8-14H2,1-3H3,(H,22,25)
InChIKeySFPWITUHYODWKP-UHFFFAOYSA-N
XLogP2.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924734
2-(3-phenylpropanoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118739581
2-N-(4-ethylphenyl)-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 131645069
2-(2-phenoxyacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118741041
2-(furan-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118741205
2-N,2-N-dimethyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 118740706
2-[2-(4-methylphenyl)acetyl]-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155838857
N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 134077997
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(4-methylphenyl)ethanone
CID 71836236
N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924922
2-[2-(3,4,5-trifluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139598867
(4R)-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375260

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 134077627) is 2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1ccc(CC(=O)N2CC(C(=O)NC(C)C)C3(CCOCC3)C2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is SFPWITUHYODWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-15(2)22-20(25)18-13-23(14-21(18)8-10-26-11-9-21)19(24)12-17-6-4-16(3)5-7-17/h4-7,15,18H,8-14H2,1-3H3,(H,22,25).
What are the key properties of 2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 134077627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).