5-(4-acetylphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]furan-2-carboxamide

C21H22N2O4 — CID 4880314

IUPAC5-(4-acetylphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCC(c3ccco3)N(C)C)o2)cc1
InChIInChI=1S/C21H22N2O4/c1-14(24)15-6-8-16(9-7-15)18-10-11-20(27-18)21(25)22-13-17(23(2)3)19-5-4-12-26-19/h4-12,17H,13H2,1-3H3,(H,22,25)
InChIKeyYHSXAHNOUOVHNB-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.77
Rot. Bonds7

About 5-(4-acetylphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]furan-2-carboxamide

5-(4-acetylphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]furan-2-carboxamide (PubChem CID 4880314) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]furan-2-carboxamide
PubChem CID4880314
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name5-(4-acetylphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCC(c3ccco3)N(C)C)o2)cc1
InChIInChI=1S/C21H22N2O4/c1-14(24)15-6-8-16(9-7-15)18-10-11-20(27-18)21(25)22-13-17(23(2)3)19-5-4-12-26-19/h4-12,17H,13H2,1-3H3,(H,22,25)
InChIKeyYHSXAHNOUOVHNB-UHFFFAOYSA-N
XLogP3.77
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]furan-2-carboxamide (CID 4880314) is 5-(4-acetylphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]furan-2-carboxamide is CC(=O)c1ccc(-c2ccc(C(=O)NCC(c3ccco3)N(C)C)o2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is YHSXAHNOUOVHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14(24)15-6-8-16(9-7-15)18-10-11-20(27-18)21(25)22-13-17(23(2)3)19-5-4-12-26-19/h4-12,17H,13H2,1-3H3,(H,22,25).
What are the key properties of 5-(4-acetylphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]furan-2-carboxamide?
5-(4-acetylphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 4880314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).