(E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide

C19H23NO3 — CID 9482537

IUPAC(E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide
SMILESCc1cc(C)c(C)c(OCCCNC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C19H23NO3/c1-14-12-15(2)16(3)18(13-14)23-11-5-9-20-19(21)8-7-17-6-4-10-22-17/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,20,21)/b8-7+
InChIKeyDPWXDEYDOPBGAZ-BQYQJAHWSA-N
MW313.40 g/mol
LogP3.80
Rot. Bonds7

About (E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide (PubChem CID 9482537) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide
PubChem CID9482537
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide
SMILESCc1cc(C)c(C)c(OCCCNC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C19H23NO3/c1-14-12-15(2)16(3)18(13-14)23-11-5-9-20-19(21)8-7-17-6-4-10-22-17/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,20,21)/b8-7+
InChIKeyDPWXDEYDOPBGAZ-BQYQJAHWSA-N
XLogP3.80
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 24533349
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
(E)-N-[2-(3,4-dimethylphenoxy)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 5291630
(E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide
CID 46557135
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 55891984
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide
CID 59509588
(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide
CID 115979782
N'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
CID 4500595
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide (CID 9482537) is (E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide is Cc1cc(C)c(C)c(OCCCNC(=O)/C=C/c2ccco2)c1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide?
The InChIKey is DPWXDEYDOPBGAZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14-12-15(2)16(3)18(13-14)23-11-5-9-20-19(21)8-7-17-6-4-10-22-17/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,20,21)/b8-7+.
What are the key properties of (E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide has a molecular weight of 313.40 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide is sourced from PubChem (CID 9482537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).