N-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide

C19H24N6O3 — CID 46961198

IUPACN-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide
SMILESCCN1CCC2(CCC1=O)CC(NC(=O)Cn1cnnn1)c1ccccc1O2
InChIInChI=1S/C19H24N6O3/c1-2-24-10-9-19(8-7-18(24)27)11-15(14-5-3-4-6-16(14)28-19)21-17(26)12-25-13-20-22-23-25/h3-6,13,15H,2,7-12H2,1H3,(H,21,26)
InChIKeyNTQJKODJEDTBKS-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.08
Rot. Bonds4

About N-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide

N-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide (PubChem CID 46961198) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide
PubChem CID46961198
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide
SMILESCCN1CCC2(CCC1=O)CC(NC(=O)Cn1cnnn1)c1ccccc1O2
InChIInChI=1S/C19H24N6O3/c1-2-24-10-9-19(8-7-18(24)27)11-15(14-5-3-4-6-16(14)28-19)21-17(26)12-25-13-20-22-23-25/h3-6,13,15H,2,7-12H2,1H3,(H,21,26)
InChIKeyNTQJKODJEDTBKS-UHFFFAOYSA-N
XLogP1.08
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-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-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide (CID 46961198) is N-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide is CCN1CCC2(CCC1=O)CC(NC(=O)Cn1cnnn1)c1ccccc1O2.
What is the InChIKey of N-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is NTQJKODJEDTBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-2-24-10-9-19(8-7-18(24)27)11-15(14-5-3-4-6-16(14)28-19)21-17(26)12-25-13-20-22-23-25/h3-6,13,15H,2,7-12H2,1H3,(H,21,26).
What are the key properties of N-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide?
N-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 384.44 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 46961198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).