(E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide

C18H21NO3 — CID 121112127

IUPAC(E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCCC(CCO)c1ccccc1
InChIInChI=1S/C18H21NO3/c20-13-11-16(15-5-2-1-3-6-15)10-12-19-18(21)9-8-17-7-4-14-22-17/h1-9,14,16,20H,10-13H2,(H,19,21)/b9-8+
InChIKeyGNXSERFNWIWHAM-CMDGGOBGSA-N
MW299.37 g/mol
LogP2.97
Rot. Bonds8

About (E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide (PubChem CID 121112127) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide
PubChem CID121112127
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCCC(CCO)c1ccccc1
InChIInChI=1S/C18H21NO3/c20-13-11-16(15-5-2-1-3-6-15)10-12-19-18(21)9-8-17-7-4-14-22-17/h1-9,14,16,20H,10-13H2,(H,19,21)/b9-8+
InChIKeyGNXSERFNWIWHAM-CMDGGOBGSA-N
XLogP2.97
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide
CID 97106207
(E)-3-(furan-2-yl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide
CID 71804398
(E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide
CID 46557135
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
(E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide
CID 121112229
(E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide
CID 16626046
3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113675
(E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide
CID 95619789

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide (CID 121112127) is (E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide is O=C(/C=C/c1ccco1)NCCC(CCO)c1ccccc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide?
The InChIKey is GNXSERFNWIWHAM-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H21NO3/c20-13-11-16(15-5-2-1-3-6-15)10-12-19-18(21)9-8-17-7-4-14-22-17/h1-9,14,16,20H,10-13H2,(H,19,21)/b9-8+.
What are the key properties of (E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide has a molecular weight of 299.37 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide is sourced from PubChem (CID 121112127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).