4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

C29H28N4O4 — CID 54842807

IUPAC4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCCN(C(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccco3)cc2)cc1)c1ccccc1
InChIInChI=1S/C29H28N4O4/c1-2-33(25-7-4-3-5-8-25)29(36)22-12-16-24(17-13-22)32-27(34)20-30-23-14-10-21(11-15-23)28(35)31-19-26-9-6-18-37-26/h3-18,30H,2,19-20H2,1H3,(H,31,35)(H,32,34)
InChIKeyAZNKOTIQPYRKDS-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.93
Rot. Bonds10

About 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54842807) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54842807
Molecular FormulaC29H28N4O4
Molecular Weight496.57 g/mol
Exact Mass496.21
IUPAC Name4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCCN(C(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccco3)cc2)cc1)c1ccccc1
InChIInChI=1S/C29H28N4O4/c1-2-33(25-7-4-3-5-8-25)29(36)22-12-16-24(17-13-22)32-27(34)20-30-23-14-10-21(11-15-23)28(35)31-19-26-9-6-18-37-26/h3-18,30H,2,19-20H2,1H3,(H,31,35)(H,32,34)
InChIKeyAZNKOTIQPYRKDS-UHFFFAOYSA-N
XLogP4.93
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834724
N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380
N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54834536
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54842956
N-(furan-2-ylmethyl)-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839165
3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834424
4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54820132
N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554
N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822273
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54831561
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840551

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 54842807) is 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is CCN(C(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccco3)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is AZNKOTIQPYRKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4/c1-2-33(25-7-4-3-5-8-25)29(36)22-12-16-24(17-13-22)32-27(34)20-30-23-14-10-21(11-15-23)28(35)31-19-26-9-6-18-37-26/h3-18,30H,2,19-20H2,1H3,(H,31,35)(H,32,34).
What are the key properties of 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 496.57 g/mol, XLogP of 4.93, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54842807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).