4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C22H30N2O5 — CID 71955285

IUPAC4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCOc1ccccc1C(=O)N1C(C(=O)NCC2CCCO2)COC12CCCCC2
InChIInChI=1S/C22H30N2O5/c1-27-19-10-4-3-9-17(19)21(26)24-18(15-29-22(24)11-5-2-6-12-22)20(25)23-14-16-8-7-13-28-16/h3-4,9-10,16,18H,2,5-8,11-15H2,1H3,(H,23,25)
InChIKeyYSQKCZIMYHNDCG-UHFFFAOYSA-N
MW402.49 g/mol
LogP2.49
Rot. Bonds5

About 4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 71955285) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID71955285
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Name4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCOc1ccccc1C(=O)N1C(C(=O)NCC2CCCO2)COC12CCCCC2
InChIInChI=1S/C22H30N2O5/c1-27-19-10-4-3-9-17(19)21(26)24-18(15-29-22(24)11-5-2-6-12-22)20(25)23-14-16-8-7-13-28-16/h3-4,9-10,16,18H,2,5-8,11-15H2,1H3,(H,23,25)
InChIKeyYSQKCZIMYHNDCG-UHFFFAOYSA-N
XLogP2.49
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 42820110
(3R,5R,7R)-4-(2-fluorobenzoyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 129423276
(3R)-4-benzoyl-8-(4-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478139
4-(2-methylbenzoyl)-8-(2-methylpropanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821011
(3S)-8-(4-methoxybenzoyl)-4-(4-methylbenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137987
(3S)-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93144439
(3R)-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93144438
8-(3-methoxybenzoyl)-4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820876
(3R)-4-benzoyl-8-(4-chlorobenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137282
(3R)-4-benzoyl-8-(2,4-difluorobenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137402
(3R)-4-benzoyl-8-(3-chlorobenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137342
8-(4-fluorobenzoyl)-4-(3-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71956144

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 71955285) is 4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is COc1ccccc1C(=O)N1C(C(=O)NCC2CCCO2)COC12CCCCC2.
What is the InChIKey of 4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is YSQKCZIMYHNDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-27-19-10-4-3-9-17(19)21(26)24-18(15-29-22(24)11-5-2-6-12-22)20(25)23-14-16-8-7-13-28-16/h3-4,9-10,16,18H,2,5-8,11-15H2,1H3,(H,23,25).
What are the key properties of 4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 71955285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).