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

C19H23ClN6O2 — CID 120988311

IUPAC2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1.Cl
InChIInChI=1S/C19H22N6O2.ClH/c1-27-13-17(20)19(26)21-16-9-7-14(8-10-16)11-12-25-23-18(22-24-25)15-5-3-2-4-6-15;/h2-10,17H,11-13,20H2,1H3,(H,21,26);1H
InChIKeyGZQIOJCVOKGABG-UHFFFAOYSA-N
MW402.89 g/mol
LogP1.92
Rot. Bonds8

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

2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride (PubChem CID 120988311) has the molecular formula C19H23ClN6O2 and a molecular weight of 402.89 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride
PubChem CID120988311
Molecular FormulaC19H23ClN6O2
Molecular Weight402.89 g/mol
Exact Mass402.16
IUPAC Name2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1.Cl
InChIInChI=1S/C19H22N6O2.ClH/c1-27-13-17(20)19(26)21-16-9-7-14(8-10-16)11-12-25-23-18(22-24-25)15-5-3-2-4-6-15;/h2-10,17H,11-13,20H2,1H3,(H,21,26);1H
InChIKeyGZQIOJCVOKGABG-UHFFFAOYSA-N
XLogP1.92
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride
CID 119764922
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
1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide
CID 119312724
(2S)-2-amino-3-methoxy-N-[4-[(4-phenylphenyl)methoxy]phenyl]propanamide
CID 163928568
N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide
CID 167832296
2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
2-amino-3-methoxy-N-[4-(2-methylsulfanylethyl)phenyl]propanamide;hydrochloride
CID 120988865
N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide
CID 119312708
N-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide
CID 60614990
N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide
CID 120989107
ethyl 4-[(2-amino-3-methoxypropanoyl)amino]benzoate
CID 81088417

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride (CID 120988311) is 2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride is COCC(N)C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride?
The InChIKey is GZQIOJCVOKGABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2.ClH/c1-27-13-17(20)19(26)21-16-9-7-14(8-10-16)11-12-25-23-18(22-24-25)15-5-3-2-4-6-15;/h2-10,17H,11-13,20H2,1H3,(H,21,26);1H.
What are the key properties of 2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride has a molecular weight of 402.89 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120988311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).