4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide

C18H21NO4 — CID 110889375

IUPAC4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NCC(O)c2ccco2)cc1
InChIInChI=1S/C18H21NO4/c1-2-13-5-7-14(8-6-13)15(20)9-10-18(22)19-12-16(21)17-4-3-11-23-17/h3-8,11,16,21H,2,9-10,12H2,1H3,(H,19,22)
InChIKeyHNXZYDPWOXPMPL-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.65
Rot. Bonds8

About 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide

4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide (PubChem CID 110889375) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide
PubChem CID110889375
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NCC(O)c2ccco2)cc1
InChIInChI=1S/C18H21NO4/c1-2-13-5-7-14(8-6-13)15(20)9-10-18(22)19-12-16(21)17-4-3-11-23-17/h3-8,11,16,21H,2,9-10,12H2,1H3,(H,19,22)
InChIKeyHNXZYDPWOXPMPL-UHFFFAOYSA-N
XLogP2.65
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 30797918
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide
CID 111102313
3-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-2-methylpropanoic acid
CID 120687518
4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide
CID 111482755
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide
CID 110899101
5-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888986
5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide
CID 87016967
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 78866038
3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889052
3-cyclopentyl-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889267
2-(2-ethylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 86981092
3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110899131

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide?
The IUPAC name of 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide (CID 110889375) is 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)NCC(O)c2ccco2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide?
The InChIKey is HNXZYDPWOXPMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-2-13-5-7-14(8-6-13)15(20)9-10-18(22)19-12-16(21)17-4-3-11-23-17/h3-8,11,16,21H,2,9-10,12H2,1H3,(H,19,22).
What are the key properties of 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide?
4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide has a molecular weight of 315.37 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide is sourced from PubChem (CID 110889375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).