4-(2,6-dimethoxybenzoyl)-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C24H36N2O5 — CID 46110798

IUPAC4-(2,6-dimethoxybenzoyl)-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCCN(CCC)C(=O)C1COC2(CCCCC2)N1C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C24H36N2O5/c1-5-15-25(16-6-2)22(27)18-17-31-24(13-8-7-9-14-24)26(18)23(28)21-19(29-3)11-10-12-20(21)30-4/h10-12,18H,5-9,13-17H2,1-4H3
InChIKeyPCVJRQAJNSJSRB-UHFFFAOYSA-N
MW432.56 g/mol
LogP3.85
Rot. Bonds8

About 4-(2,6-dimethoxybenzoyl)-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

4-(2,6-dimethoxybenzoyl)-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 46110798) has the molecular formula C24H36N2O5 and a molecular weight of 432.56 g/mol. Its IUPAC name is 4-(2,6-dimethoxybenzoyl)-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethoxybenzoyl)-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID46110798
Molecular FormulaC24H36N2O5
Molecular Weight432.56 g/mol
Exact Mass432.26
IUPAC Name4-(2,6-dimethoxybenzoyl)-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCCN(CCC)C(=O)C1COC2(CCCCC2)N1C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C24H36N2O5/c1-5-15-25(16-6-2)22(27)18-17-31-24(13-8-7-9-14-24)26(18)23(28)21-19(29-3)11-10-12-20(21)30-4/h10-12,18H,5-9,13-17H2,1-4H3
InChIKeyPCVJRQAJNSJSRB-UHFFFAOYSA-N
XLogP3.85
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxybenzoyl)-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-(2,6-dimethoxybenzoyl)-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 46110798) is 4-(2,6-dimethoxybenzoyl)-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-(2,6-dimethoxybenzoyl)-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-(2,6-dimethoxybenzoyl)-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CCCN(CCC)C(=O)C1COC2(CCCCC2)N1C(=O)c1c(OC)cccc1OC.
What is the InChIKey of 4-(2,6-dimethoxybenzoyl)-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is PCVJRQAJNSJSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O5/c1-5-15-25(16-6-2)22(27)18-17-31-24(13-8-7-9-14-24)26(18)23(28)21-19(29-3)11-10-12-20(21)30-4/h10-12,18H,5-9,13-17H2,1-4H3.
What are the key properties of 4-(2,6-dimethoxybenzoyl)-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
4-(2,6-dimethoxybenzoyl)-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 432.56 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxybenzoyl)-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 46110798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).