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

C17H18BrNO4 — CID 27447138

IUPAC(E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESCOc1cc(Br)c(CCNC(=O)/C=C/c2ccco2)cc1OC
InChIInChI=1S/C17H18BrNO4/c1-21-15-10-12(14(18)11-16(15)22-2)7-8-19-17(20)6-5-13-4-3-9-23-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)/b6-5+
InChIKeyPQOADEIOVCRLDS-AATRIKPKSA-N
MW380.24 g/mol
LogP3.43
Rot. Bonds7

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

(E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 27447138) has the molecular formula C17H18BrNO4 and a molecular weight of 380.24 g/mol. Its IUPAC name is (E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID27447138
Molecular FormulaC17H18BrNO4
Molecular Weight380.24 g/mol
Exact Mass379.04
IUPAC Name(E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESCOc1cc(Br)c(CCNC(=O)/C=C/c2ccco2)cc1OC
InChIInChI=1S/C17H18BrNO4/c1-21-15-10-12(14(18)11-16(15)22-2)7-8-19-17(20)6-5-13-4-3-9-23-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)/b6-5+
InChIKeyPQOADEIOVCRLDS-AATRIKPKSA-N
XLogP3.43
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 963759
(E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 26993496
3-(furan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 607372
(E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 961103
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 55616568
3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
CID 1191602
(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 9193821
(E)-N-[2-(3,4-dimethylphenoxy)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 5291630
(E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide
CID 71789674
N-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 3751982

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide (CID 27447138) is (E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide is COc1cc(Br)c(CCNC(=O)/C=C/c2ccco2)cc1OC.
What is the InChIKey of (E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is PQOADEIOVCRLDS-AATRIKPKSA-N. The full InChI is InChI=1S/C17H18BrNO4/c1-21-15-10-12(14(18)11-16(15)22-2)7-8-19-17(20)6-5-13-4-3-9-23-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)/b6-5+.
What are the key properties of (E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 380.24 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 27447138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).