3,4-dimethyl-N-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)ethyl]furan-2-carboxamide

C17H19N5O2 — CID 166313814

IUPAC3,4-dimethyl-N-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)ethyl]furan-2-carboxamide
SMILESCc1ccc(N(CCc2nn[nH]n2)C(=O)c2occ(C)c2C)cc1
InChIInChI=1S/C17H19N5O2/c1-11-4-6-14(7-5-11)22(9-8-15-18-20-21-19-15)17(23)16-13(3)12(2)10-24-16/h4-7,10H,8-9H2,1-3H3,(H,18,19,20,21)
InChIKeyKUPDTJOILVCCMR-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.61
Rot. Bonds5

About 3,4-dimethyl-N-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)ethyl]furan-2-carboxamide

3,4-dimethyl-N-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)ethyl]furan-2-carboxamide (PubChem CID 166313814) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3,4-dimethyl-N-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)ethyl]furan-2-carboxamide
PubChem CID166313814
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3,4-dimethyl-N-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)ethyl]furan-2-carboxamide
SMILESCc1ccc(N(CCc2nn[nH]n2)C(=O)c2occ(C)c2C)cc1
InChIInChI=1S/C17H19N5O2/c1-11-4-6-14(7-5-11)22(9-8-15-18-20-21-19-15)17(23)16-13(3)12(2)10-24-16/h4-7,10H,8-9H2,1-3H3,(H,18,19,20,21)
InChIKeyKUPDTJOILVCCMR-UHFFFAOYSA-N
XLogP2.61
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 3,4-dimethyl-N-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)ethyl]furan-2-carboxamide (CID 166313814) is 3,4-dimethyl-N-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 3,4-dimethyl-N-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 3,4-dimethyl-N-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)ethyl]furan-2-carboxamide is Cc1ccc(N(CCc2nn[nH]n2)C(=O)c2occ(C)c2C)cc1.
What is the InChIKey of 3,4-dimethyl-N-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)ethyl]furan-2-carboxamide?
The InChIKey is KUPDTJOILVCCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-4-6-14(7-5-11)22(9-8-15-18-20-21-19-15)17(23)16-13(3)12(2)10-24-16/h4-7,10H,8-9H2,1-3H3,(H,18,19,20,21).
What are the key properties of 3,4-dimethyl-N-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)ethyl]furan-2-carboxamide?
3,4-dimethyl-N-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)ethyl]furan-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 166313814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).