(E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide

C18H21NO2 — CID 55686707

IUPAC(E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
SMILESCc1cc(C)c(/C=C/C(=O)NCCc2ccco2)cc1C
InChIInChI=1S/C18H21NO2/c1-13-11-15(3)16(12-14(13)2)6-7-18(20)19-9-8-17-5-4-10-21-17/h4-7,10-12H,8-9H2,1-3H3,(H,19,20)/b7-6+
InChIKeyJLHMJJAMXFCXSD-VOTSOKGWSA-N
MW283.37 g/mol
LogP3.58
Rot. Bonds5

About (E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide

(E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide (PubChem CID 55686707) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
PubChem CID55686707
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
SMILESCc1cc(C)c(/C=C/C(=O)NCCc2ccco2)cc1C
InChIInChI=1S/C18H21NO2/c1-13-11-15(3)16(12-14(13)2)6-7-18(20)19-9-8-17-5-4-10-21-17/h4-7,10-12H,8-9H2,1-3H3,(H,19,20)/b7-6+
InChIKeyJLHMJJAMXFCXSD-VOTSOKGWSA-N
XLogP3.58
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.58
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

(E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide
CID 115342852
(E)-N-[2-(furan-2-yl)ethyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 9184707
N-(2-methylsulfonylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 47381439
(E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide
CID 71789674
(E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 60553181
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 76867605
(E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6297086
4-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobut-2-enoic acid
CID 54954888
5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 65309421
N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173949
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
3-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110307624

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide (CID 55686707) is (E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide is Cc1cc(C)c(/C=C/C(=O)NCCc2ccco2)cc1C.
What is the InChIKey of (E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The InChIKey is JLHMJJAMXFCXSD-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-11-15(3)16(12-14(13)2)6-7-18(20)19-9-8-17-5-4-10-21-17/h4-7,10-12H,8-9H2,1-3H3,(H,19,20)/b7-6+.
What are the key properties of (E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide?
(E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide has a molecular weight of 283.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide is sourced from PubChem (CID 55686707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).