7-methyl-4-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C24H29N3O3 — CID 42820736

IUPAC7-methyl-4-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC1CCCC2(C1)OCC(C(=O)NCc1cccnc1)N2C(=O)Cc1ccccc1
InChIInChI=1S/C24H29N3O3/c1-18-7-5-11-24(14-18)27(22(28)13-19-8-3-2-4-9-19)21(17-30-24)23(29)26-16-20-10-6-12-25-15-20/h2-4,6,8-10,12,15,18,21H,5,7,11,13-14,16-17H2,1H3,(H,26,29)
InChIKeyHEQSRGIKRSUTJR-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.07
Rot. Bonds5

About 7-methyl-4-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

7-methyl-4-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 42820736) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 7-methyl-4-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name7-methyl-4-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID42820736
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name7-methyl-4-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC1CCCC2(C1)OCC(C(=O)NCc1cccnc1)N2C(=O)Cc1ccccc1
InChIInChI=1S/C24H29N3O3/c1-18-7-5-11-24(14-18)27(22(28)13-19-8-3-2-4-9-19)21(17-30-24)23(29)26-16-20-10-6-12-25-15-20/h2-4,6,8-10,12,15,18,21H,5,7,11,13-14,16-17H2,1H3,(H,26,29)
InChIKeyHEQSRGIKRSUTJR-UHFFFAOYSA-N
XLogP3.07
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methyl-4-(2-phenylacetyl)-N-(pyridin-3-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

1-[(3S,5R,7R)-7-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-phenylethanone
CID 97478092
(3R,5S,7R)-N-benzyl-4-(2-fluorobenzoyl)-7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 98405136
(3S)-8-methyl-N-(pyridin-3-ylmethyl)-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93136672
N-(2-methoxyethyl)-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71955880
(3S,5R,7R)-4-(2,6-dimethoxybenzoyl)-7-methyl-N-(2-methylpropyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 97478096
(3S,5S,7R)-4-(cyclopentanecarbonyl)-7-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 99768198
(2S,3S)-5-[2-(4-fluorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492708
8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 83275460
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
(3R)-8-(3-fluorobenzoyl)-4-(3-methylbenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137510
(2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492624
N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 121229553

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 7-methyl-4-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 42820736) is 7-methyl-4-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 7-methyl-4-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 7-methyl-4-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CC1CCCC2(C1)OCC(C(=O)NCc1cccnc1)N2C(=O)Cc1ccccc1.
What is the InChIKey of 7-methyl-4-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is HEQSRGIKRSUTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18-7-5-11-24(14-18)27(22(28)13-19-8-3-2-4-9-19)21(17-30-24)23(29)26-16-20-10-6-12-25-15-20/h2-4,6,8-10,12,15,18,21H,5,7,11,13-14,16-17H2,1H3,(H,26,29).
What are the key properties of 7-methyl-4-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
7-methyl-4-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 42820736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).