3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide

C22H22N2O3 — CID 109054073

IUPAC3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)NCc2ccco2)c1)c1cccc(C)c1
InChIInChI=1S/C22H22N2O3/c1-3-24(19-10-4-7-16(2)13-19)22(26)18-9-5-8-17(14-18)21(25)23-15-20-11-6-12-27-20/h4-14H,3,15H2,1-2H3,(H,23,25)
InChIKeyIWEWCMPQPPZKIU-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.18
Rot. Bonds6

About 3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide

3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109054073) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID109054073
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)NCc2ccco2)c1)c1cccc(C)c1
InChIInChI=1S/C22H22N2O3/c1-3-24(19-10-4-7-16(2)13-19)22(26)18-9-5-8-17(14-18)21(25)23-15-20-11-6-12-27-20/h4-14H,3,15H2,1-2H3,(H,23,25)
InChIKeyIWEWCMPQPPZKIU-UHFFFAOYSA-N
XLogP4.18
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-ethyl-2-N-(furan-2-ylmethyl)-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097206
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834724
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109055053
N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide
CID 109018740
N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9079684
3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054394
3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053113
N-(furan-2-ylmethyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 50947122
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109057447

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide (CID 109054073) is 3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide is CCN(C(=O)c1cccc(C(=O)NCc2ccco2)c1)c1cccc(C)c1.
What is the InChIKey of 3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is IWEWCMPQPPZKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-3-24(19-10-4-7-16(2)13-19)22(26)18-9-5-8-17(14-18)21(25)23-15-20-11-6-12-27-20/h4-14H,3,15H2,1-2H3,(H,23,25).
What are the key properties of 3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).