N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride

C16H25ClN6O — CID 119644028

IUPACN-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C(C)n1nnc(-c2ccccc2)n1.Cl
InChIInChI=1S/C16H24N6O.ClH/c1-4-16(17,5-2)11-18-15(23)12(3)22-20-14(19-21-22)13-9-7-6-8-10-13;/h6-10,12H,4-5,11,17H2,1-3H3,(H,18,23);1H
InChIKeyOHTBNMYGXFAMME-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.96
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride (PubChem CID 119644028) has the molecular formula C16H25ClN6O and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
PubChem CID119644028
Molecular FormulaC16H25ClN6O
Molecular Weight352.87 g/mol
Exact Mass352.18
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C(C)n1nnc(-c2ccccc2)n1.Cl
InChIInChI=1S/C16H24N6O.ClH/c1-4-16(17,5-2)11-18-15(23)12(3)22-20-14(19-21-22)13-9-7-6-8-10-13;/h6-10,12H,4-5,11,17H2,1-3H3,(H,18,23);1H
InChIKeyOHTBNMYGXFAMME-UHFFFAOYSA-N
XLogP1.96
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119588881
2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 86908769
2-(5-phenyltetrazol-2-yl)butanehydrazide
CID 63573923
2-benzyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119233917
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119657176
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119568560
2-(5-phenyltetrazol-2-yl)pentanehydrazide
CID 83048205
N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 119505106

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride (CID 119644028) is N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride is CCC(N)(CC)CNC(=O)C(C)n1nnc(-c2ccccc2)n1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride?
The InChIKey is OHTBNMYGXFAMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O.ClH/c1-4-16(17,5-2)11-18-15(23)12(3)22-20-14(19-21-22)13-9-7-6-8-10-13;/h6-10,12H,4-5,11,17H2,1-3H3,(H,18,23);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119644028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).