N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride

C13H19ClN6O — CID 119433233

IUPACN-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
SMILESCNCCCNC(=O)Cc1ccc(-n2cnnn2)cc1.Cl
InChIInChI=1S/C13H18N6O.ClH/c1-14-7-2-8-15-13(20)9-11-3-5-12(6-4-11)19-10-16-17-18-19;/h3-6,10,14H,2,7-9H2,1H3,(H,15,20);1H
InChIKeyWGVVZQFMPQPHIX-UHFFFAOYSA-N
MW310.79 g/mol
LogP0.35
Rot. Bonds7

About N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride

N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride (PubChem CID 119433233) has the molecular formula C13H19ClN6O and a molecular weight of 310.79 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
PubChem CID119433233
Molecular FormulaC13H19ClN6O
Molecular Weight310.79 g/mol
Exact Mass310.13
IUPAC NameN-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
SMILESCNCCCNC(=O)Cc1ccc(-n2cnnn2)cc1.Cl
InChIInChI=1S/C13H18N6O.ClH/c1-14-7-2-8-15-13(20)9-11-3-5-12(6-4-11)19-10-16-17-18-19;/h3-6,10,14H,2,7-9H2,1H3,(H,15,20);1H
InChIKeyWGVVZQFMPQPHIX-UHFFFAOYSA-N
XLogP0.35
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 43600862
N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55656209
N-[2-(2-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601437
2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 55600639
2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119432439
4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 34395340
N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115395
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 91957416
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55630277
5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 62033210
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52852200

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride (CID 119433233) is N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride is CNCCCNC(=O)Cc1ccc(-n2cnnn2)cc1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride?
The InChIKey is WGVVZQFMPQPHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O.ClH/c1-14-7-2-8-15-13(20)9-11-3-5-12(6-4-11)19-10-16-17-18-19;/h3-6,10,14H,2,7-9H2,1H3,(H,15,20);1H.
What are the key properties of N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride?
N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119433233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).