N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

C19H26N2O2 — CID 99619266

IUPACN-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESC1CC(C1)[C@@H](C2=CC=CC=C2)NC(=O)N3CCOC4(C3)CCC4
InChIInChI=1S/C19H26N2O2/c22-18(21-12-13-23-19(14-21)10-5-11-19)20-17(16-8-4-9-16)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,20,22)/t17-/m1/s1
InChIKeyYZFQZGOXZCGVFT-QGZVFWFLSA-N
MW314.40 g/mol
LogP2.70
Rot. Bonds3

About N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (PubChem CID 99619266) has the molecular formula C19H26N2O2 and a molecular weight of 314.40 g/mol. Its IUPAC name is N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
PubChem CID99619266
Molecular FormulaC19H26N2O2
Molecular Weight314.40 g/mol
Exact Mass314.20
IUPAC NameN-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESC1CC(C1)[C@@H](C2=CC=CC=C2)NC(=O)N3CCOC4(C3)CCC4
InChIInChI=1S/C19H26N2O2/c22-18(21-12-13-23-19(14-21)10-5-11-19)20-17(16-8-4-9-16)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,20,22)/t17-/m1/s1
InChIKeyYZFQZGOXZCGVFT-QGZVFWFLSA-N
XLogP2.70
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity425

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide 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-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (CID 99619266) is N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is C1CC(C1)[C@@H](C2=CC=CC=C2)NC(=O)N3CCOC4(C3)CCC4.
What is the InChIKey of N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The InChIKey is YZFQZGOXZCGVFT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-18(21-12-13-23-19(14-21)10-5-11-19)20-17(16-8-4-9-16)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,20,22)/t17-/m1/s1.
What are the key properties of N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide has a molecular weight of 314.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 99619266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).