N-[3-oxo-3-(1-phenylethylamino)propyl]furan-2-carboxamide

C16H18N2O3 — CID 18154449

IUPACN-[3-oxo-3-(1-phenylethylamino)propyl]furan-2-carboxamide
SMILESCC(NC(=O)CCNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C16H18N2O3/c1-12(13-6-3-2-4-7-13)18-15(19)9-10-17-16(20)14-8-5-11-21-14/h2-8,11-12H,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyUAGQNBRUQQAZIB-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.28
Rot. Bonds6

About N-[3-oxo-3-(1-phenylethylamino)propyl]furan-2-carboxamide

N-[3-oxo-3-(1-phenylethylamino)propyl]furan-2-carboxamide (PubChem CID 18154449) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[3-oxo-3-(1-phenylethylamino)propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(1-phenylethylamino)propyl]furan-2-carboxamide
PubChem CID18154449
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[3-oxo-3-(1-phenylethylamino)propyl]furan-2-carboxamide
SMILESCC(NC(=O)CCNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C16H18N2O3/c1-12(13-6-3-2-4-7-13)18-15(19)9-10-17-16(20)14-8-5-11-21-14/h2-8,11-12H,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyUAGQNBRUQQAZIB-UHFFFAOYSA-N
XLogP2.28
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(1-phenylethylamino)propyl]furan-2-carboxamide?
The IUPAC name of N-[3-oxo-3-(1-phenylethylamino)propyl]furan-2-carboxamide (CID 18154449) is N-[3-oxo-3-(1-phenylethylamino)propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(1-phenylethylamino)propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-(1-phenylethylamino)propyl]furan-2-carboxamide is CC(NC(=O)CCNC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of N-[3-oxo-3-(1-phenylethylamino)propyl]furan-2-carboxamide?
The InChIKey is UAGQNBRUQQAZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12(13-6-3-2-4-7-13)18-15(19)9-10-17-16(20)14-8-5-11-21-14/h2-8,11-12H,9-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-oxo-3-(1-phenylethylamino)propyl]furan-2-carboxamide?
N-[3-oxo-3-(1-phenylethylamino)propyl]furan-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(1-phenylethylamino)propyl]furan-2-carboxamide is sourced from PubChem (CID 18154449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).