N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide

C21H21NO4 — CID 26242410

IUPACN-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)CCc3ccco3)cc2)cc1
InChIInChI=1S/C21H21NO4/c1-2-24-18-9-11-20(12-10-18)26-19-7-5-16(6-8-19)22-21(23)14-13-17-4-3-15-25-17/h3-12,15H,2,13-14H2,1H3,(H,22,23)
InChIKeyGMOSNZMTJVATSQ-UHFFFAOYSA-N
MW351.40 g/mol
LogP5.04
Rot. Bonds8

About N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide

N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide (PubChem CID 26242410) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide
PubChem CID26242410
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC NameN-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)CCc3ccco3)cc2)cc1
InChIInChI=1S/C21H21NO4/c1-2-24-18-9-11-20(12-10-18)26-19-7-5-16(6-8-19)22-21(23)14-13-17-4-3-15-25-17/h3-12,15H,2,13-14H2,1H3,(H,22,23)
InChIKeyGMOSNZMTJVATSQ-UHFFFAOYSA-N
XLogP5.04
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.40
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-N-[4-(2-hydroxyethoxy)phenyl]propanamide
CID 111116197
N-(4-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2243182
[2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841127
N'-(4-ethoxyphenyl)-N-[2-(furan-2-yl)ethyl]oxamide
CID 7584904
[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333787
N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138558
1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea
CID 7944393
3-(furan-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 38404476
3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 19225996
N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 3584762
3-acetamido-N-[4-(4-ethoxyphenoxy)phenyl]propanamide
CID 2117866
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide (CID 26242410) is N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide is CCOc1ccc(Oc2ccc(NC(=O)CCc3ccco3)cc2)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide?
The InChIKey is GMOSNZMTJVATSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-2-24-18-9-11-20(12-10-18)26-19-7-5-16(6-8-19)22-21(23)14-13-17-4-3-15-25-17/h3-12,15H,2,13-14H2,1H3,(H,22,23).
What are the key properties of N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide?
N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide has a molecular weight of 351.40 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 26242410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).