N-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide

C17H19NO2 — CID 67511764

IUPACN-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCCN(Cc1ccoc1)C(=O)C=Cc1ccc(C)cc1
InChIInChI=1S/C17H19NO2/c1-3-18(12-16-10-11-20-13-16)17(19)9-8-15-6-4-14(2)5-7-15/h4-11,13H,3,12H2,1-2H3
InChIKeyKHCBTPMYULGTOL-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.65
Rot. Bonds5

About N-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide

N-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 67511764) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID67511764
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCCN(Cc1ccoc1)C(=O)C=Cc1ccc(C)cc1
InChIInChI=1S/C17H19NO2/c1-3-18(12-16-10-11-20-13-16)17(19)9-8-15-6-4-14(2)5-7-15/h4-11,13H,3,12H2,1-2H3
InChIKeyKHCBTPMYULGTOL-UHFFFAOYSA-N
XLogP3.65
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
CID 18830821
N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 123311433
(E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide
CID 83969259
N-(furan-3-ylmethyl)-N,4-dimethylbenzamide
CID 110868919
(E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31837807
(E)-N-(furan-3-ylmethyl)-3-thiophen-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 71804105
5-acetyl-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide
CID 21269988
(E)-3-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide
CID 71803931
N-ethyl-3-(4-methylphenyl)-N-phenylprop-2-enamide
CID 917661
2-amino-N-ethyl-N-(furan-3-ylmethyl)pentanamide
CID 86784232
3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide
CID 73010710
N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 175014113

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of N-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide (CID 67511764) is N-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for N-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide is CCN(Cc1ccoc1)C(=O)C=Cc1ccc(C)cc1.
What is the InChIKey of N-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is KHCBTPMYULGTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-18(12-16-10-11-20-13-16)17(19)9-8-15-6-4-14(2)5-7-15/h4-11,13H,3,12H2,1-2H3.
What are the key properties of N-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide?
N-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 269.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 67511764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).