N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

C28H28N4O3 — CID 34777669

IUPACN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C28H28N4O3/c1-3-31(20-27(33)30-23-8-6-9-24(18-23)35-2)28(34)26-11-5-4-10-25(26)22-14-12-21(13-15-22)19-32-17-7-16-29-32/h4-18H,3,19-20H2,1-2H3,(H,30,33)
InChIKeyYOZFPJDFNXEDJC-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.71
Rot. Bonds9

About N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 34777669) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID34777669
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C28H28N4O3/c1-3-31(20-27(33)30-23-8-6-9-24(18-23)35-2)28(34)26-11-5-4-10-25(26)22-14-12-21(13-15-22)19-32-17-7-16-29-32/h4-18H,3,19-20H2,1-2H3,(H,30,33)
InChIKeyYOZFPJDFNXEDJC-UHFFFAOYSA-N
XLogP4.71
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55797224
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 60618248
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39948127
N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55383995
N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55344386
N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630760
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 7958626
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 34778567
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 7958649
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 26353614

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 34777669) is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is YOZFPJDFNXEDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-3-31(20-27(33)30-23-8-6-9-24(18-23)35-2)28(34)26-11-5-4-10-25(26)22-14-12-21(13-15-22)19-32-17-7-16-29-32/h4-18H,3,19-20H2,1-2H3,(H,30,33).
What are the key properties of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 468.56 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 34777669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).