N-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide

C19H29N3O2 — CID 118745588

IUPACN-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
SMILESCC(C)NC(=O)CC1COC2(CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C19H29N3O2/c1-15(2)21-18(23)10-17-11-19(24-14-17)5-8-22(9-6-19)13-16-4-3-7-20-12-16/h3-4,7,12,15,17H,5-6,8-11,13-14H2,1-2H3,(H,21,23)
InChIKeyIEJAWQJXMGBDDL-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.37
Rot. Bonds5

About N-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide

N-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide (PubChem CID 118745588) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
PubChem CID118745588
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
SMILESCC(C)NC(=O)CC1COC2(CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C19H29N3O2/c1-15(2)21-18(23)10-17-11-19(24-14-17)5-8-22(9-6-19)13-16-4-3-7-20-12-16/h3-4,7,12,15,17H,5-6,8-11,13-14H2,1-2H3,(H,21,23)
InChIKeyIEJAWQJXMGBDDL-UHFFFAOYSA-N
XLogP2.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide (CID 118745588) is N-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide is CC(C)NC(=O)CC1COC2(CCN(Cc3cccnc3)CC2)C1.
What is the InChIKey of N-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is IEJAWQJXMGBDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(2)21-18(23)10-17-11-19(24-14-17)5-8-22(9-6-19)13-16-4-3-7-20-12-16/h3-4,7,12,15,17H,5-6,8-11,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide?
N-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 118745588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).