(E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide

C18H21NO2 — CID 6389358

IUPAC(E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide
SMILESCC(C)CCNC(=O)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-14(2)10-11-19-18(20)17(13-16-9-6-12-21-16)15-7-4-3-5-8-15/h3-9,12-14H,10-11H2,1-2H3,(H,19,20)/b17-13+
InChIKeyMQIUBFPMTIPZIP-GHRIWEEISA-N
MW283.37 g/mol
LogP3.98
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide

(E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide (PubChem CID 6389358) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide
PubChem CID6389358
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide
SMILESCC(C)CCNC(=O)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-14(2)10-11-19-18(20)17(13-16-9-6-12-21-16)15-7-4-3-5-8-15/h3-9,12-14H,10-11H2,1-2H3,(H,19,20)/b17-13+
InChIKeyMQIUBFPMTIPZIP-GHRIWEEISA-N
XLogP3.98
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.98
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-[(Z)-1-(furan-2-yl)-3-(4-methylpentylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 86942346
(E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide
CID 92684194
(E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide
CID 43886752
3-(furan-2-yl)-2-phenylprop-2-enamide
CID 1281215
N-[1-(furan-2-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3092968
N-[(E)-1-(furan-2-yl)-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2063946
ethyl (Z)-3-(furan-2-yl)-2-phenylprop-2-enoate
CID 170872169
N-[1-(furan-2-yl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2873413
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenylpropylamino)prop-1-en-2-yl]benzamide
CID 133218762
(E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 100735360
(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 5425994
(E)-3-(furan-2-yl)-2-phenyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 100748287

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide (CID 6389358) is (E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide is CC(C)CCNC(=O)/C(=C/c1ccco1)c1ccccc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide?
The InChIKey is MQIUBFPMTIPZIP-GHRIWEEISA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(2)10-11-19-18(20)17(13-16-9-6-12-21-16)15-7-4-3-5-8-15/h3-9,12-14H,10-11H2,1-2H3,(H,19,20)/b17-13+.
What are the key properties of (E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide?
(E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide has a molecular weight of 283.37 g/mol, XLogP of 3.98, 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-(3-methylbutyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 6389358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).