N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide

C22H22N2O3 — CID 34907709

IUPACN-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2C)cc1
InChIInChI=1S/C22H22N2O3/c1-16-6-3-4-8-20(16)22(26)24(15-19-7-5-13-27-19)14-17-9-11-18(12-10-17)21(25)23-2/h3-13H,14-15H2,1-2H3,(H,23,25)
InChIKeyYUMPELLTCJEWQH-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.79
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide

N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 34907709) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
PubChem CID34907709
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2C)cc1
InChIInChI=1S/C22H22N2O3/c1-16-6-3-4-8-20(16)22(26)24(15-19-7-5-13-27-19)14-17-9-11-18(12-10-17)21(25)23-2/h3-13H,14-15H2,1-2H3,(H,23,25)
InChIKeyYUMPELLTCJEWQH-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide
CID 37433435
3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 34907655
N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-nitropyridine-3-carboxamide
CID 86925746
4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 30798139
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
2-chloro-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 17012308
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide
CID 37429743
N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide
CID 46045835
4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide
CID 34214609
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51164195
N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 18830831

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide (CID 34907709) is N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide is CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2C)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is YUMPELLTCJEWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-16-6-3-4-8-20(16)22(26)24(15-19-7-5-13-27-19)14-17-9-11-18(12-10-17)21(25)23-2/h3-13H,14-15H2,1-2H3,(H,23,25).
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 34907709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).