5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide

C17H18N2O4 — CID 18145659

IUPAC5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCCNC(=O)CNC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1
InChIInChI=1S/C17H18N2O4/c1-3-18-16(21)10-19-17(22)15-9-8-14(23-15)13-6-4-12(5-7-13)11(2)20/h4-9H,3,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyPAINGDNHHDORPK-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.02
Rot. Bonds6

About 5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide

5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 18145659) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
PubChem CID18145659
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCCNC(=O)CNC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1
InChIInChI=1S/C17H18N2O4/c1-3-18-16(21)10-19-17(22)15-9-8-14(23-15)13-6-4-12(5-7-13)11(2)20/h4-9H,3,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyPAINGDNHHDORPK-UHFFFAOYSA-N
XLogP2.02
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145739
[2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18080567
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124004
5-chloro-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 103606891
(4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate
CID 7728035
5-(4-acetylphenyl)-N-(4-methylphenyl)furan-2-carboxamide
CID 9291217
(2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid
CID 119363534
5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide
CID 17460136
5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 18119096
5-(4-acetylphenyl)-N-pyridin-4-ylfuran-2-carboxamide
CID 18109203
5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide
CID 16601981
3-[[5-(4-acetylphenyl)furan-2-carbonyl]-ethylamino]propanoic acid
CID 119191572

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide (CID 18145659) is 5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide is CCNC(=O)CNC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1.
What is the InChIKey of 5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is PAINGDNHHDORPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-18-16(21)10-19-17(22)15-9-8-14(23-15)13-6-4-12(5-7-13)11(2)20/h4-9H,3,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide?
5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 18145659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).