3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride

C14H21ClN6O — CID 120611610

IUPAC3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride
SMILESCCCC(NC(=O)CCc1ccccc1N)c1nn[nH]n1.Cl
InChIInChI=1S/C14H20N6O.ClH/c1-2-5-12(14-17-19-20-18-14)16-13(21)9-8-10-6-3-4-7-11(10)15;/h3-4,6-7,12H,2,5,8-9,15H2,1H3,(H,16,21)(H,17,18,19,20);1H
InChIKeyZBVAPFSURDVRES-UHFFFAOYSA-N
MW324.82 g/mol
LogP1.79
Rot. Bonds7

About 3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride (PubChem CID 120611610) has the molecular formula C14H21ClN6O and a molecular weight of 324.82 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride
PubChem CID120611610
Molecular FormulaC14H21ClN6O
Molecular Weight324.82 g/mol
Exact Mass324.15
IUPAC Name3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride
SMILESCCCC(NC(=O)CCc1ccccc1N)c1nn[nH]n1.Cl
InChIInChI=1S/C14H20N6O.ClH/c1-2-5-12(14-17-19-20-18-14)16-13(21)9-8-10-6-3-4-7-11(10)15;/h3-4,6-7,12H,2,5,8-9,15H2,1H3,(H,16,21)(H,17,18,19,20);1H
InChIKeyZBVAPFSURDVRES-UHFFFAOYSA-N
XLogP1.79
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride
CID 119813138
3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide
CID 120613150
methyl 2-[3-(2-aminophenyl)propanoylamino]propanoate
CID 107273028
2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide
CID 71920445
N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide
CID 97184162
[3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid
CID 22626937
2-[3-(2-aminophenyl)propanoylamino]-3-methylbutanamide
CID 107329581
2-[3-(2-aminophenyl)propanoylamino]-N-butan-2-ylpropanamide;hydrochloride
CID 120609968
2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide
CID 119813161
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide
CID 99814771
3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide
CID 107273243
3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride
CID 120611087

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride (CID 120611610) is 3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride is CCCC(NC(=O)CCc1ccccc1N)c1nn[nH]n1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride?
The InChIKey is ZBVAPFSURDVRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O.ClH/c1-2-5-12(14-17-19-20-18-14)16-13(21)9-8-10-6-3-4-7-11(10)15;/h3-4,6-7,12H,2,5,8-9,15H2,1H3,(H,16,21)(H,17,18,19,20);1H.
What are the key properties of 3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride has a molecular weight of 324.82 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride is sourced from PubChem (CID 120611610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).