2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide

C20H24N6O — CID 119764919

IUPAC2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide
SMILESCNCC(C)C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H24N6O/c1-15(14-21-2)20(27)22-18-10-8-16(9-11-18)12-13-26-24-19(23-25-26)17-6-4-3-5-7-17/h3-11,15,21H,12-14H2,1-2H3,(H,22,27)
InChIKeySTUFMGBYFKBDGC-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.38
Rot. Bonds8

About 2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide

2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide (PubChem CID 119764919) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide
PubChem CID119764919
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide
SMILESCNCC(C)C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H24N6O/c1-15(14-21-2)20(27)22-18-10-8-16(9-11-18)12-13-26-24-19(23-25-26)17-6-4-3-5-7-17/h3-11,15,21H,12-14H2,1-2H3,(H,22,27)
InChIKeySTUFMGBYFKBDGC-UHFFFAOYSA-N
XLogP2.38
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.38
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
3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride
CID 119764922
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
2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
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-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide
CID 167832296
2-cyano-N-methyl-3-oxo-6-(5-phenyltetrazol-2-yl)hexanamide
CID 56800660
N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine
CID 62447153
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508158
N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119701452

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide (CID 119764919) is 2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide is CNCC(C)C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide?
The InChIKey is STUFMGBYFKBDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-15(14-21-2)20(27)22-18-10-8-16(9-11-18)12-13-26-24-19(23-25-26)17-6-4-3-5-7-17/h3-11,15,21H,12-14H2,1-2H3,(H,22,27).
What are the key properties of 2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide?
2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide has a molecular weight of 364.45 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide is sourced from PubChem (CID 119764919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).