N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride

C16H25ClN6O — CID 119588881

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C(C)n1nnc(-c2ccccc2)n1.Cl
InChIInChI=1S/C16H24N6O.ClH/c1-11(2)9-14(10-17)18-16(23)12(3)22-20-15(19-21-22)13-7-5-4-6-8-13;/h4-8,11-12,14H,9-10,17H2,1-3H3,(H,18,23);1H
InChIKeyYZDJHNKXXQBJDT-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.81
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride (PubChem CID 119588881) has the molecular formula C16H25ClN6O and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
PubChem CID119588881
Molecular FormulaC16H25ClN6O
Molecular Weight352.87 g/mol
Exact Mass352.18
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C(C)n1nnc(-c2ccccc2)n1.Cl
InChIInChI=1S/C16H24N6O.ClH/c1-11(2)9-14(10-17)18-16(23)12(3)22-20-15(19-21-22)13-7-5-4-6-8-13;/h4-8,11-12,14H,9-10,17H2,1-3H3,(H,18,23);1H
InChIKeyYZDJHNKXXQBJDT-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119644028
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098
N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119568560
2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine
CID 79409199
2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 86908769
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
2-benzyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119233917
2-(5-phenyltetrazol-2-yl)butanehydrazide
CID 63573923
(2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 96560493
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119657176

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride (CID 119588881) is N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride is CC(C)CC(CN)NC(=O)C(C)n1nnc(-c2ccccc2)n1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride?
The InChIKey is YZDJHNKXXQBJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O.ClH/c1-11(2)9-14(10-17)18-16(23)12(3)22-20-15(19-21-22)13-7-5-4-6-8-13;/h4-8,11-12,14H,9-10,17H2,1-3H3,(H,18,23);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119588881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).