N-methyl-3-(3-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide

C15H19N5O — CID 127265730

IUPACN-methyl-3-(3-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide
SMILESCc1cccc(C=CC(=O)N(C)CC(C)c2nn[nH]n2)c1
InChIInChI=1S/C15H19N5O/c1-11-5-4-6-13(9-11)7-8-14(21)20(3)10-12(2)15-16-18-19-17-15/h4-9,12H,10H2,1-3H3,(H,16,17,18,19)
InChIKeyQSFUFAQVGVFXRL-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.78
Rot. Bonds5

About N-methyl-3-(3-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide

N-methyl-3-(3-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide (PubChem CID 127265730) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-methyl-3-(3-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-3-(3-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide
PubChem CID127265730
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-methyl-3-(3-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide
SMILESCc1cccc(C=CC(=O)N(C)CC(C)c2nn[nH]n2)c1
InChIInChI=1S/C15H19N5O/c1-11-5-4-6-13(9-11)7-8-14(21)20(3)10-12(2)15-16-18-19-17-15/h4-9,12H,10H2,1-3H3,(H,16,17,18,19)
InChIKeyQSFUFAQVGVFXRL-UHFFFAOYSA-N
XLogP1.78
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide?
The IUPAC name of N-methyl-3-(3-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide (CID 127265730) is N-methyl-3-(3-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide.
What is the SMILES notation for N-methyl-3-(3-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide?
The canonical SMILES for N-methyl-3-(3-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide is Cc1cccc(C=CC(=O)N(C)CC(C)c2nn[nH]n2)c1.
What is the InChIKey of N-methyl-3-(3-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide?
The InChIKey is QSFUFAQVGVFXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-5-4-6-13(9-11)7-8-14(21)20(3)10-12(2)15-16-18-19-17-15/h4-9,12H,10H2,1-3H3,(H,16,17,18,19).
What are the key properties of N-methyl-3-(3-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide?
N-methyl-3-(3-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide has a molecular weight of 285.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide is sourced from PubChem (CID 127265730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).