N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride

C17H27ClN6O — CID 119642838

IUPACN-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C(Cc1ccccc1)n1nnnc1C.Cl
InChIInChI=1S/C17H26N6O.ClH/c1-4-17(18,5-2)12-19-16(24)15(23-13(3)20-21-22-23)11-14-9-7-6-8-10-14;/h6-10,15H,4-5,11-12,18H2,1-3H3,(H,19,24);1H
InChIKeyBZTUHGNREVDQNT-UHFFFAOYSA-N
MW366.90 g/mol
LogP1.82
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride (PubChem CID 119642838) has the molecular formula C17H27ClN6O and a molecular weight of 366.90 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride
PubChem CID119642838
Molecular FormulaC17H27ClN6O
Molecular Weight366.90 g/mol
Exact Mass366.19
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C(Cc1ccccc1)n1nnnc1C.Cl
InChIInChI=1S/C17H26N6O.ClH/c1-4-17(18,5-2)12-19-16(24)15(23-13(3)20-21-22-23)11-14-9-7-6-8-10-14;/h6-10,15H,4-5,11-12,18H2,1-3H3,(H,19,24);1H
InChIKeyBZTUHGNREVDQNT-UHFFFAOYSA-N
XLogP1.82
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]hexanoic acid
CID 120614831
3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride
CID 119500200
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
CID 120888731
N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
CID 139004187
2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid
CID 119230638
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 47039371
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
CID 86970770
3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid
CID 119237695
1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide
CID 86970759
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 86994053
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one
CID 119519892
N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride
CID 119640354

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride (CID 119642838) is N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride is CCC(N)(CC)CNC(=O)C(Cc1ccccc1)n1nnnc1C.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride?
The InChIKey is BZTUHGNREVDQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O.ClH/c1-4-17(18,5-2)12-19-16(24)15(23-13(3)20-21-22-23)11-14-9-7-6-8-10-14;/h6-10,15H,4-5,11-12,18H2,1-3H3,(H,19,24);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride has a molecular weight of 366.90 g/mol, XLogP of 1.82, 8 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-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119642838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).