N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide

C21H20N2O4 — CID 113062542

IUPACN-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide
SMILESCC(=O)N(CCNC(=O)c1ccco1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H20N2O4/c1-16(24)23(14-13-22-21(25)20-8-5-15-26-20)17-9-11-19(12-10-17)27-18-6-3-2-4-7-18/h2-12,15H,13-14H2,1H3,(H,22,25)
InChIKeyBDSQLSXHDSESQC-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.85
Rot. Bonds7

About N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide

N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide (PubChem CID 113062542) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide
PubChem CID113062542
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide
SMILESCC(=O)N(CCNC(=O)c1ccco1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H20N2O4/c1-16(24)23(14-13-22-21(25)20-8-5-15-26-20)17-9-11-19(12-10-17)27-18-6-3-2-4-7-18/h2-12,15H,13-14H2,1H3,(H,22,25)
InChIKeyBDSQLSXHDSESQC-UHFFFAOYSA-N
XLogP3.85
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide
CID 113061085
N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 113057415
N-[2-(N-acetyl-2-methoxyanilino)ethyl]furan-2-carboxamide
CID 113060433
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]furan-2-carboxamide
CID 113062422
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide
CID 113060744
N-[3-[(2,2-dichloroacetyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide
CID 42726275
N-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide
CID 42726086
3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113132275
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide
CID 113061369
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide
CID 113062539
N-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide
CID 42726465
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113061087

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide (CID 113062542) is N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide is CC(=O)N(CCNC(=O)c1ccco1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide?
The InChIKey is BDSQLSXHDSESQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-16(24)23(14-13-22-21(25)20-8-5-15-26-20)17-9-11-19(12-10-17)27-18-6-3-2-4-7-18/h2-12,15H,13-14H2,1H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide?
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 113062542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).