(E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide

C17H19NO2 — CID 16626046

IUPAC(E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide
SMILESCCCC(NC(=O)/C=C/c1ccco1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-7-16(14-8-4-3-5-9-14)18-17(19)12-11-15-10-6-13-20-15/h3-6,8-13,16H,2,7H2,1H3,(H,18,19)/b12-11+
InChIKeyJKFUNDYCZZLOCU-VAWYXSNFSA-N
MW269.34 g/mol
LogP3.95
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide (PubChem CID 16626046) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide
PubChem CID16626046
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide
SMILESCCCC(NC(=O)/C=C/c1ccco1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-7-16(14-8-4-3-5-9-14)18-17(19)12-11-15-10-6-13-20-15/h3-6,8-13,16H,2,7H2,1H3,(H,18,19)/b12-11+
InChIKeyJKFUNDYCZZLOCU-VAWYXSNFSA-N
XLogP3.95
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 107564277
propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate
CID 46637717
(E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide
CID 124760047
(E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide
CID 6057021
(E)-3-(furan-2-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9148362
N-[(1R)-1-phenylbutyl]furan-2-carboxamide
CID 29086850
(E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 43416620
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide
CID 7581820
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 6188146
(E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide
CID 121112127
3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75619467

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide (CID 16626046) is (E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide is CCCC(NC(=O)/C=C/c1ccco1)c1ccccc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide?
The InChIKey is JKFUNDYCZZLOCU-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-7-16(14-8-4-3-5-9-14)18-17(19)12-11-15-10-6-13-20-15/h3-6,8-13,16H,2,7H2,1H3,(H,18,19)/b12-11+.
What are the key properties of (E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide has a molecular weight of 269.34 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide is sourced from PubChem (CID 16626046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).