3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride

C19H23ClN6O — CID 119764922

IUPAC3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1.Cl
InChIInChI=1S/C19H22N6O.ClH/c1-14(20)13-18(26)21-17-9-7-15(8-10-17)11-12-25-23-19(22-24-25)16-5-3-2-4-6-16;/h2-10,14H,11-13,20H2,1H3,(H,21,26);1H
InChIKeyVZURPHROVVPDQZ-UHFFFAOYSA-N
MW386.89 g/mol
LogP2.68
Rot. Bonds7

About 3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride

3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride (PubChem CID 119764922) has the molecular formula C19H23ClN6O and a molecular weight of 386.89 g/mol. Its IUPAC name is 3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride
PubChem CID119764922
Molecular FormulaC19H23ClN6O
Molecular Weight386.89 g/mol
Exact Mass386.16
IUPAC Name3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1.Cl
InChIInChI=1S/C19H22N6O.ClH/c1-14(20)13-18(26)21-17-9-7-15(8-10-17)11-12-25-23-19(22-24-25)16-5-3-2-4-6-16;/h2-10,14H,11-13,20H2,1H3,(H,21,26);1H
InChIKeyVZURPHROVVPDQZ-UHFFFAOYSA-N
XLogP2.68
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride
CID 120988311
2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide
CID 119764919
1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclopentane-1-carboxamide
CID 119312718
2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide
CID 119312724
3-amino-N-(4-phenylphenyl)butanamide
CID 60835996
N-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide
CID 60614990
N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide
CID 167832296
N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide
CID 119312708
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508158
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 119498184

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride (CID 119764922) is 3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride is CC(N)CC(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1.Cl.
What is the InChIKey of 3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride?
The InChIKey is VZURPHROVVPDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O.ClH/c1-14(20)13-18(26)21-17-9-7-15(8-10-17)11-12-25-23-19(22-24-25)16-5-3-2-4-6-16;/h2-10,14H,11-13,20H2,1H3,(H,21,26);1H.
What are the key properties of 3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride?
3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride has a molecular weight of 386.89 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119764922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).