N-(furan-2-ylmethyl)-3-(2-phenoxybutanoylamino)benzamide

C22H22N2O4 — CID 17199974

IUPACN-(furan-2-ylmethyl)-3-(2-phenoxybutanoylamino)benzamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C22H22N2O4/c1-2-20(28-18-10-4-3-5-11-18)22(26)24-17-9-6-8-16(14-17)21(25)23-15-19-12-7-13-27-19/h3-14,20H,2,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyJYZOVVLHDDNAKW-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.01
Rot. Bonds8

About N-(furan-2-ylmethyl)-3-(2-phenoxybutanoylamino)benzamide

N-(furan-2-ylmethyl)-3-(2-phenoxybutanoylamino)benzamide (PubChem CID 17199974) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(2-phenoxybutanoylamino)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(2-phenoxybutanoylamino)benzamide
PubChem CID17199974
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-(furan-2-ylmethyl)-3-(2-phenoxybutanoylamino)benzamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C22H22N2O4/c1-2-20(28-18-10-4-3-5-11-18)22(26)24-17-9-6-8-16(14-17)21(25)23-15-19-12-7-13-27-19/h3-14,20H,2,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyJYZOVVLHDDNAKW-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide
CID 43887296
(2R)-2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)butanamide
CID 7346761
N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide
CID 2211304
3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54826254
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide
CID 43877933
N-(furan-2-ylmethyl)-3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834809
2-(2-ethoxyethoxy)-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17200047
2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 94019315
3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17199877
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(2-phenoxybutanoylamino)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(2-phenoxybutanoylamino)benzamide (CID 17199974) is N-(furan-2-ylmethyl)-3-(2-phenoxybutanoylamino)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(2-phenoxybutanoylamino)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(2-phenoxybutanoylamino)benzamide is CCC(Oc1ccccc1)C(=O)Nc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(2-phenoxybutanoylamino)benzamide?
The InChIKey is JYZOVVLHDDNAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-2-20(28-18-10-4-3-5-11-18)22(26)24-17-9-6-8-16(14-17)21(25)23-15-19-12-7-13-27-19/h3-14,20H,2,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(furan-2-ylmethyl)-3-(2-phenoxybutanoylamino)benzamide?
N-(furan-2-ylmethyl)-3-(2-phenoxybutanoylamino)benzamide has a molecular weight of 378.43 g/mol, XLogP of 4.01, 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)-3-(2-phenoxybutanoylamino)benzamide is sourced from PubChem (CID 17199974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).