N-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide

C19H25N5O — CID 74235813

IUPACN-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
SMILESCCCN(C/C=C/c1ccccc1)C(=O)C1CCCCn2nnnc21
InChIInChI=1S/C19H25N5O/c1-2-13-23(14-8-11-16-9-4-3-5-10-16)19(25)17-12-6-7-15-24-18(17)20-21-22-24/h3-5,8-11,17H,2,6-7,12-15H2,1H3/b11-8+
InChIKeyKJADASDHOGTYRF-DHZHZOJOSA-N
MW339.44 g/mol
LogP2.89
Rot. Bonds6

About N-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide

N-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide (PubChem CID 74235813) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
PubChem CID74235813
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
SMILESCCCN(C/C=C/c1ccccc1)C(=O)C1CCCCn2nnnc21
InChIInChI=1S/C19H25N5O/c1-2-13-23(14-8-11-16-9-4-3-5-10-16)19(25)17-12-6-7-15-24-18(17)20-21-22-24/h3-5,8-11,17H,2,6-7,12-15H2,1H3/b11-8+
InChIKeyKJADASDHOGTYRF-DHZHZOJOSA-N
XLogP2.89
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-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-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The IUPAC name of N-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide (CID 74235813) is N-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide.
What is the SMILES notation for N-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The canonical SMILES for N-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide is CCCN(C/C=C/c1ccccc1)C(=O)C1CCCCn2nnnc21.
What is the InChIKey of N-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The InChIKey is KJADASDHOGTYRF-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-13-23(14-8-11-16-9-4-3-5-10-16)19(25)17-12-6-7-15-24-18(17)20-21-22-24/h3-5,8-11,17H,2,6-7,12-15H2,1H3/b11-8+.
What are the key properties of N-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
N-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide is sourced from PubChem (CID 74235813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).