4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide

C26H26N4O4 — CID 2604003

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
SMILESCOc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C26H26N4O4/c1-18-15-19(2)30(28-18)21-12-10-20(11-13-21)26(32)29(16-22-7-6-14-34-22)17-25(31)27-23-8-4-5-9-24(23)33-3/h4-15H,16-17H2,1-3H3,(H,27,31)
InChIKeyCTMVEIANIIIQCB-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.37
Rot. Bonds8

About 4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide (PubChem CID 2604003) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
PubChem CID2604003
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
SMILESCOc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C26H26N4O4/c1-18-15-19(2)30(28-18)21-12-10-20(11-13-21)26(32)29(16-22-7-6-14-34-22)17-25(31)27-23-8-4-5-9-24(23)33-3/h4-15H,16-17H2,1-3H3,(H,27,31)
InChIKeyCTMVEIANIIIQCB-UHFFFAOYSA-N
XLogP4.37
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 4781645
ethyl N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]carbamate
CID 9438034
N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9438050
4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356858
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 26356006
2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 8501196
N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 4779798
N-ethyl-3-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methylbenzamide
CID 46563290
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
CID 1060751
N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 42826819
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 18291878
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42698044

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide (CID 2604003) is 4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide is COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(-n2nc(C)cc2C)cc1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide?
The InChIKey is CTMVEIANIIIQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-18-15-19(2)30(28-18)21-12-10-20(11-13-21)26(32)29(16-22-7-6-14-34-22)17-25(31)27-23-8-4-5-9-24(23)33-3/h4-15H,16-17H2,1-3H3,(H,27,31).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide has a molecular weight of 458.52 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 2604003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).