4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

C24H22N6O3 — CID 1463805

IUPAC4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H22N6O3/c1-16-7-11-18(12-8-16)25-22(31)15-30-28-23(27-29-30)20-5-3-4-6-21(20)26-24(32)17-9-13-19(33-2)14-10-17/h3-14H,15H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyGCKKQUICFYJYQY-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.55
Rot. Bonds7

About 4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (PubChem CID 1463805) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
PubChem CID1463805
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H22N6O3/c1-16-7-11-18(12-8-16)25-22(31)15-30-28-23(27-29-30)20-5-3-4-6-21(20)26-24(32)17-9-13-19(33-2)14-10-17/h3-14H,15H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyGCKKQUICFYJYQY-UHFFFAOYSA-N
XLogP3.55
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-2-[5-[2-[(2-phenoxyacetyl)amino]phenyl]tetrazol-2-yl]acetamide
CID 1463830
N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 2511451
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
CID 1463834
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
CID 1455558
4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 3229791
N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
CID 1463792
N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
CID 1463796
4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463770
N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide
CID 1463772
N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide
CID 1463735
2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1463812
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (CID 1463805) is 4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The InChIKey is GCKKQUICFYJYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-16-7-11-18(12-8-16)25-22(31)15-30-28-23(27-29-30)20-5-3-4-6-21(20)26-24(32)17-9-13-19(33-2)14-10-17/h3-14H,15H2,1-2H3,(H,25,31)(H,26,32).
What are the key properties of 4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide has a molecular weight of 442.48 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 1463805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).