N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide

C19H18N6O — CID 679124

IUPACN-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCC(C=NNC(=O)Cn1nnc(-c2ccccc2)n1)=Cc1ccccc1
InChIInChI=1S/C19H18N6O/c1-15(12-16-8-4-2-5-9-16)13-20-21-18(26)14-25-23-19(22-24-25)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,21,26)
InChIKeyYTMVKWQLVGDAFL-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.55
Rot. Bonds6

About N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 679124) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID679124
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCC(C=NNC(=O)Cn1nnc(-c2ccccc2)n1)=Cc1ccccc1
InChIInChI=1S/C19H18N6O/c1-15(12-16-8-4-2-5-9-16)13-20-21-18(26)14-25-23-19(22-24-25)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,21,26)
InChIKeyYTMVKWQLVGDAFL-UHFFFAOYSA-N
XLogP2.55
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408814
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239
N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 5235899
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3964614
2-(5-phenyltetrazol-2-yl)-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 8524097
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929862
2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
CID 8524080
N-[[3-(difluoromethoxy)phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 4102305
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3762135
N-[3-(4-bromophenyl)prop-2-enylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3802747
N-[(E)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 25250896

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 679124) is N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide is CC(C=NNC(=O)Cn1nnc(-c2ccccc2)n1)=Cc1ccccc1.
What is the InChIKey of N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is YTMVKWQLVGDAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-15(12-16-8-4-2-5-9-16)13-20-21-18(26)14-25-23-19(22-24-25)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,21,26).
What are the key properties of N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 679124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).