3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide

C20H21N5O3 — CID 41360681

IUPAC3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2cccc(-c3nnnn3C)c2)cc(OC)c1OC
InChIInChI=1S/C20H21N5O3/c1-5-7-13-10-15(12-17(27-3)18(13)28-4)20(26)21-16-9-6-8-14(11-16)19-22-23-24-25(19)2/h5-6,8-12H,1,7H2,2-4H3,(H,21,26)
InChIKeyIXQFWOAPCYLJCU-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.88
Rot. Bonds7

About 3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide

3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide (PubChem CID 41360681) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide
PubChem CID41360681
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2cccc(-c3nnnn3C)c2)cc(OC)c1OC
InChIInChI=1S/C20H21N5O3/c1-5-7-13-10-15(12-17(27-3)18(13)28-4)20(26)21-16-9-6-8-14(11-16)19-22-23-24-25(19)2/h5-6,8-12H,1,7H2,2-4H3,(H,21,26)
InChIKeyIXQFWOAPCYLJCU-UHFFFAOYSA-N
XLogP2.88
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide (CID 41360681) is 3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)Nc2cccc(-c3nnnn3C)c2)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide?
The InChIKey is IXQFWOAPCYLJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-5-7-13-10-15(12-17(27-3)18(13)28-4)20(26)21-16-9-6-8-14(11-16)19-22-23-24-25(19)2/h5-6,8-12H,1,7H2,2-4H3,(H,21,26).
What are the key properties of 3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide?
3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide has a molecular weight of 379.42 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide is sourced from PubChem (CID 41360681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).