(E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide

C20H25NO3 — CID 60553181

IUPAC(E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
SMILESCOCCN(Cc1ccco1)C(=O)/C=C/c1cc(C)c(C)cc1C
InChIInChI=1S/C20H25NO3/c1-15-12-17(3)18(13-16(15)2)7-8-20(22)21(9-11-23-4)14-19-6-5-10-24-19/h5-8,10,12-13H,9,11,14H2,1-4H3/b8-7+
InChIKeyZRTYAGGACRQQEP-BQYQJAHWSA-N
MW327.42 g/mol
LogP3.89
Rot. Bonds7

About (E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide

(E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide (PubChem CID 60553181) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
PubChem CID60553181
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
SMILESCOCCN(Cc1ccco1)C(=O)/C=C/c1cc(C)c(C)cc1C
InChIInChI=1S/C20H25NO3/c1-15-12-17(3)18(13-16(15)2)7-8-20(22)21(9-11-23-4)14-19-6-5-10-24-19/h5-8,10,12-13H,9,11,14H2,1-4H3/b8-7+
InChIKeyZRTYAGGACRQQEP-BQYQJAHWSA-N
XLogP3.89
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 76867605
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide
CID 32993456
(E)-3-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide
CID 71803931
(E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 55686707
2-[[furan-2-ylmethyl(methyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79270355
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N,N-bis(furan-2-ylmethyl)prop-2-enamide
CID 55360216
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea
CID 86998774
(E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 46638145
3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86793421
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42773009
N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 772554
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 134059712

Frequently Asked Questions

What is the IUPAC name of (E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide (CID 60553181) is (E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide is COCCN(Cc1ccco1)C(=O)/C=C/c1cc(C)c(C)cc1C.
What is the InChIKey of (E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The InChIKey is ZRTYAGGACRQQEP-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15-12-17(3)18(13-16(15)2)7-8-20(22)21(9-11-23-4)14-19-6-5-10-24-19/h5-8,10,12-13H,9,11,14H2,1-4H3/b8-7+.
What are the key properties of (E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide?
(E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide has a molecular weight of 327.42 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide is sourced from PubChem (CID 60553181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).