N-[3-(4-ethoxyanilino)-3-oxopropyl]furan-2-carboxamide

C16H18N2O4 — CID 2600480

IUPACN-[3-(4-ethoxyanilino)-3-oxopropyl]furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H18N2O4/c1-2-21-13-7-5-12(6-8-13)18-15(19)9-10-17-16(20)14-4-3-11-22-14/h3-8,11H,2,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyFJRZOECKMBZHCG-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.44
Rot. Bonds7

About N-[3-(4-ethoxyanilino)-3-oxopropyl]furan-2-carboxamide

N-[3-(4-ethoxyanilino)-3-oxopropyl]furan-2-carboxamide (PubChem CID 2600480) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[3-(4-ethoxyanilino)-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethoxyanilino)-3-oxopropyl]furan-2-carboxamide
PubChem CID2600480
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[3-(4-ethoxyanilino)-3-oxopropyl]furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H18N2O4/c1-2-21-13-7-5-12(6-8-13)18-15(19)9-10-17-16(20)14-4-3-11-22-14/h3-8,11H,2,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyFJRZOECKMBZHCG-UHFFFAOYSA-N
XLogP2.44
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyanilino)-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-(4-ethoxyanilino)-3-oxopropyl]furan-2-carboxamide (CID 2600480) is N-[3-(4-ethoxyanilino)-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethoxyanilino)-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4-ethoxyanilino)-3-oxopropyl]furan-2-carboxamide is CCOc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[3-(4-ethoxyanilino)-3-oxopropyl]furan-2-carboxamide?
The InChIKey is FJRZOECKMBZHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-21-13-7-5-12(6-8-13)18-15(19)9-10-17-16(20)14-4-3-11-22-14/h3-8,11H,2,9-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(4-ethoxyanilino)-3-oxopropyl]furan-2-carboxamide?
N-[3-(4-ethoxyanilino)-3-oxopropyl]furan-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyanilino)-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 2600480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).