(E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide

C17H19NO3 — CID 24533349

IUPAC(E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
SMILESCc1cccc(OCCCNC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C17H19NO3/c1-14-5-2-6-16(13-14)21-12-4-10-18-17(19)9-8-15-7-3-11-20-15/h2-3,5-9,11,13H,4,10,12H2,1H3,(H,18,19)/b9-8+
InChIKeyFAKPGCSCPVXWMJ-CMDGGOBGSA-N
MW285.34 g/mol
LogP3.19
Rot. Bonds7

About (E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide (PubChem CID 24533349) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
PubChem CID24533349
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
SMILESCc1cccc(OCCCNC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C17H19NO3/c1-14-5-2-6-16(13-14)21-12-4-10-18-17(19)9-8-15-7-3-11-20-15/h2-3,5-9,11,13H,4,10,12H2,1H3,(H,18,19)/b9-8+
InChIKeyFAKPGCSCPVXWMJ-CMDGGOBGSA-N
XLogP3.19
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.19
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)-N-[2-(3,4-dimethylphenoxy)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 5291630
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
(E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide
CID 9482537
N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
CID 55919724
(E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 27039844
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
(E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide
CID 46557135
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
CID 9224174
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide
CID 59509588

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide (CID 24533349) is (E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide is Cc1cccc(OCCCNC(=O)/C=C/c2ccco2)c1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide?
The InChIKey is FAKPGCSCPVXWMJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H19NO3/c1-14-5-2-6-16(13-14)21-12-4-10-18-17(19)9-8-15-7-3-11-20-15/h2-3,5-9,11,13H,4,10,12H2,1H3,(H,18,19)/b9-8+.
What are the key properties of (E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide has a molecular weight of 285.34 g/mol, XLogP of 3.19, 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-(3-methylphenoxy)propyl]prop-2-enamide is sourced from PubChem (CID 24533349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).