N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide

C19H21N5O3 — CID 58502440

IUPACN-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2ccccc2OC)c1=O)c1cc(C)ccc1C
InChIInChI=1S/C19H21N5O3/c1-5-22(16-12-13(2)10-11-14(16)3)18(25)24-19(26)23(20-21-24)15-8-6-7-9-17(15)27-4/h6-12H,5H2,1-4H3
InChIKeyRHEVTEGCKPEJNK-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.55
Rot. Bonds4

About N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide

N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide (PubChem CID 58502440) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide
PubChem CID58502440
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2ccccc2OC)c1=O)c1cc(C)ccc1C
InChIInChI=1S/C19H21N5O3/c1-5-22(16-12-13(2)10-11-14(16)3)18(25)24-19(26)23(20-21-24)15-8-6-7-9-17(15)27-4/h6-12H,5H2,1-4H3
InChIKeyRHEVTEGCKPEJNK-UHFFFAOYSA-N
XLogP2.55
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide (CID 58502440) is N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide is CCN(C(=O)n1nnn(-c2ccccc2OC)c1=O)c1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide?
The InChIKey is RHEVTEGCKPEJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-5-22(16-12-13(2)10-11-14(16)3)18(25)24-19(26)23(20-21-24)15-8-6-7-9-17(15)27-4/h6-12H,5H2,1-4H3.
What are the key properties of N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide?
N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 58502440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).