(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide

C17H19NO5 — CID 72717738

IUPAC(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide
SMILESCOc1ccc(C(O)CNC(=O)/C=C/c2ccoc2)cc1OC
InChIInChI=1S/C17H19NO5/c1-21-15-5-4-13(9-16(15)22-2)14(19)10-18-17(20)6-3-12-7-8-23-11-12/h3-9,11,14,19H,10H2,1-2H3,(H,18,20)/b6-3+
InChIKeyMOIMWNBTYUKSPX-ZZXKWVIFSA-N
MW317.34 g/mol
LogP2.16
Rot. Bonds7

About (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide

(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide (PubChem CID 72717738) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide
PubChem CID72717738
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide
SMILESCOc1ccc(C(O)CNC(=O)/C=C/c2ccoc2)cc1OC
InChIInChI=1S/C17H19NO5/c1-21-15-5-4-13(9-16(15)22-2)14(19)10-18-17(20)6-3-12-7-8-23-11-12/h3-9,11,14,19H,10H2,1-2H3,(H,18,20)/b6-3+
InChIKeyMOIMWNBTYUKSPX-ZZXKWVIFSA-N
XLogP2.16
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]prop-2-enamide
CID 97416926
3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide
CID 171130531
(E)-N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 11209675
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide
CID 90558341
(E)-N-[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 10245998
3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide
CID 3881543
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 597490
[4-[(E)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-3-oxoprop-1-enyl]-2,6-dimethoxyphenyl] acetate
CID 90287762
(E)-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 11267400
1-tert-butyl-3-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 99780012
N'-tert-butyl-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 72717745

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide (CID 72717738) is (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide is COc1ccc(C(O)CNC(=O)/C=C/c2ccoc2)cc1OC.
What is the InChIKey of (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide?
The InChIKey is MOIMWNBTYUKSPX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H19NO5/c1-21-15-5-4-13(9-16(15)22-2)14(19)10-18-17(20)6-3-12-7-8-23-11-12/h3-9,11,14,19H,10H2,1-2H3,(H,18,20)/b6-3+.
What are the key properties of (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide?
(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide has a molecular weight of 317.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide is sourced from PubChem (CID 72717738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).