N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide

C22H22N2O4 — CID 51188549

IUPACN-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H22N2O4/c1-27-17-11-8-16(9-12-17)10-13-21(25)24-20-7-3-2-6-19(20)22(26)23-15-18-5-4-14-28-18/h2-9,11-12,14H,10,13,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyYBQCLRLSQSMPON-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.79
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide

N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide (PubChem CID 51188549) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide
PubChem CID51188549
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H22N2O4/c1-27-17-11-8-16(9-12-17)10-13-21(25)24-20-7-3-2-6-19(20)22(26)23-15-18-5-4-14-28-18/h2-9,11-12,14H,10,13,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyYBQCLRLSQSMPON-UHFFFAOYSA-N
XLogP3.79
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide
CID 34646854
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 51283919
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 55772978
N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94878119
N-[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17440926
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34648175
2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 112804522
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 55467124

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide (CID 51188549) is N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide is COc1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide?
The InChIKey is YBQCLRLSQSMPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-27-17-11-8-16(9-12-17)10-13-21(25)24-20-7-3-2-6-19(20)22(26)23-15-18-5-4-14-28-18/h2-9,11-12,14H,10,13,15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide?
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide has a molecular weight of 378.43 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide is sourced from PubChem (CID 51188549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).