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

C18H22N2O4 — CID 113061085

IUPACN-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide
SMILESCC(=O)N(CCNC(=O)c1ccco1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H22N2O4/c1-13(2)24-16-8-6-15(7-9-16)20(14(3)21)11-10-19-18(22)17-5-4-12-23-17/h4-9,12-13H,10-11H2,1-3H3,(H,19,22)
InChIKeyOYONRDRFHOBVSC-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.85
Rot. Bonds7

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

N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide (PubChem CID 113061085) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide
PubChem CID113061085
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide
SMILESCC(=O)N(CCNC(=O)c1ccco1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H22N2O4/c1-13(2)24-16-8-6-15(7-9-16)20(14(3)21)11-10-19-18(22)17-5-4-12-23-17/h4-9,12-13H,10-11H2,1-3H3,(H,19,22)
InChIKeyOYONRDRFHOBVSC-UHFFFAOYSA-N
XLogP2.85
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide
CID 113062542
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113061087
N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 113057415
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]-3,4-difluorobenzamide
CID 113061115
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]furan-2-carboxamide
CID 113062422
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide
CID 113061127
N-[2-(N-acetyl-2-methoxyanilino)ethyl]furan-2-carboxamide
CID 113060433
N-[2-(ethylsulfonylamino)ethyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113061132
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide
CID 113060744
3-(N-acetyl-4-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129869
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide
CID 113061369
N-[(4-propan-2-yloxyphenyl)carbamoyl]furan-2-carboxamide
CID 110866473

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide (CID 113061085) is N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide is CC(=O)N(CCNC(=O)c1ccco1)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide?
The InChIKey is OYONRDRFHOBVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13(2)24-16-8-6-15(7-9-16)20(14(3)21)11-10-19-18(22)17-5-4-12-23-17/h4-9,12-13H,10-11H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide?
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.85, 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-propan-2-yloxyanilino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 113061085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).