8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C31H34N4O7 — CID 83275460

IUPAC8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOc1ccc(C(=O)N2C(C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(OC)c(OC)c2)CC3)cc1
InChIInChI=1S/C31H34N4O7/c1-39-24-9-6-22(7-10-24)30(38)35-25(28(36)33-19-21-5-4-14-32-18-21)20-42-31(35)12-15-34(16-13-31)29(37)23-8-11-26(40-2)27(17-23)41-3/h4-11,14,17-18,25H,12-13,15-16,19-20H2,1-3H3,(H,33,36)
InChIKeyDKZWUMQRZBEAOW-UHFFFAOYSA-N
MW574.63 g/mol
LogP2.90
Rot. Bonds8

About 8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 83275460) has the molecular formula C31H34N4O7 and a molecular weight of 574.63 g/mol. Its IUPAC name is 8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID83275460
Molecular FormulaC31H34N4O7
Molecular Weight574.63 g/mol
Exact Mass574.24
IUPAC Name8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOc1ccc(C(=O)N2C(C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(OC)c(OC)c2)CC3)cc1
InChIInChI=1S/C31H34N4O7/c1-39-24-9-6-22(7-10-24)30(38)35-25(28(36)33-19-21-5-4-14-32-18-21)20-42-31(35)12-15-34(16-13-31)29(37)23-8-11-26(40-2)27(17-23)41-3/h4-11,14,17-18,25H,12-13,15-16,19-20H2,1-3H3,(H,33,36)
InChIKeyDKZWUMQRZBEAOW-UHFFFAOYSA-N
XLogP2.90
TPSA119.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.63
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-4-benzoyl-N-benzyl-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478123
(3R)-N-benzyl-8-(3-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138038
(3R)-8-(3-fluorobenzoyl)-4-(3-methylbenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137510
1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46412193
8-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821075
(3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137078
N-benzyl-8-(2,2-dimethylpropanoyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71955293
(3S)-4,8-bis(4-methoxybenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136999
(3R)-8-(3,4-dimethoxybenzoyl)-4-(2-methylbenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 98421053
(3R)-8-(furan-2-carbonyl)-4-(4-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478105
8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 83285217
(3R)-N-(furan-2-ylmethyl)-8-(4-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137976

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 83275460) is 8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is COc1ccc(C(=O)N2C(C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(OC)c(OC)c2)CC3)cc1.
What is the InChIKey of 8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is DKZWUMQRZBEAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O7/c1-39-24-9-6-22(7-10-24)30(38)35-25(28(36)33-19-21-5-4-14-32-18-21)20-42-31(35)12-15-34(16-13-31)29(37)23-8-11-26(40-2)27(17-23)41-3/h4-11,14,17-18,25H,12-13,15-16,19-20H2,1-3H3,(H,33,36).
What are the key properties of 8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 574.63 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 83275460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).