2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide

C17H24N6O — CID 75423019

IUPAC2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(-c2nn[nH]n2)cc1)N1CCCCCC1
InChIInChI=1S/C17H24N6O/c1-13(23-10-4-2-3-5-11-23)17(24)18-12-14-6-8-15(9-7-14)16-19-21-22-20-16/h6-9,13H,2-5,10-12H2,1H3,(H,18,24)(H,19,20,21,22)
InChIKeyALYQJZDRABWYPF-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.75
Rot. Bonds5

About 2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide

2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide (PubChem CID 75423019) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
PubChem CID75423019
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(-c2nn[nH]n2)cc1)N1CCCCCC1
InChIInChI=1S/C17H24N6O/c1-13(23-10-4-2-3-5-11-23)17(24)18-12-14-6-8-15(9-7-14)16-19-21-22-20-16/h6-9,13H,2-5,10-12H2,1H3,(H,18,24)(H,19,20,21,22)
InChIKeyALYQJZDRABWYPF-UHFFFAOYSA-N
XLogP1.75
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 119778417
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
(2S)-2-amino-3,3-dimethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide;hydrochloride
CID 119778410
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 145152753
(2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 95773877
2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 119778407
2-amino-2-(oxan-4-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 120792568
(2S)-2-(azepan-1-yl)-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 97218734
N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide
CID 86993654
(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94697489

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The IUPAC name of 2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide (CID 75423019) is 2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide is CC(C(=O)NCc1ccc(-c2nn[nH]n2)cc1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The InChIKey is ALYQJZDRABWYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13(23-10-4-2-3-5-11-23)17(24)18-12-14-6-8-15(9-7-14)16-19-21-22-20-16/h6-9,13H,2-5,10-12H2,1H3,(H,18,24)(H,19,20,21,22).
What are the key properties of 2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide has a molecular weight of 328.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 75423019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).