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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Related Compounds

N-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide
CID 88881788
N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide
CID 58502374
benzyl 5-[ethyl-[4-(2-methoxyphenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methoxybenzoate
CID 58502217
N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide
CID 58502136
N-ethyl-N-(2-fluorophenyl)-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide
CID 58502221
4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide
CID 70668188
benzyl 4-[[4-(2-methoxyphenyl)-5-oxotetrazole-1-carbonyl]-methylamino]benzoate
CID 126499071
N-(2-butoxy-5-methylphenyl)-4-(2-fluoro-6-methoxyphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide
CID 90076443
4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide
CID 58502301
4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide
CID 58502246
benzyl 5-[ethyl-[4-(2-methoxyphenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methylbenzoate;benzyl 5-[[4-(2-methoxyphenyl)-5-oxotetrazole-1-carbonyl]-propan-2-ylamino]-2-methylbenzoate;N-(4-bromophenyl)-4-(2-methoxyphenyl)-N-(4-methylphenyl)-5-oxotetrazole-1-carboxamide;N-(2-butoxy-5-methylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide;N-(2-chloro-5-methylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide;5-[[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]-propan-2-ylamino]-2-methylbenzoic acid;N-ethyl-N-(3-methoxy-4-methylphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide;N-ethyl-4-(2-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide;4-(2-methoxyphenyl)-N-(4-methylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide
CID 159437939
N-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide
CID 58502492

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).