(E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide

C18H18BrNO3 — CID 26555515

IUPAC(E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
SMILESCOc1ccccc1OCCNC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C18H18BrNO3/c1-22-16-8-4-5-9-17(16)23-13-12-20-18(21)11-10-14-6-2-3-7-15(14)19/h2-11H,12-13H2,1H3,(H,20,21)/b11-10+
InChIKeyUNRMLAZKXYLEBP-ZHACJKMWSA-N
MW376.25 g/mol
LogP3.67
Rot. Bonds7

About (E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide

(E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide (PubChem CID 26555515) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
PubChem CID26555515
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC Name(E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
SMILESCOc1ccccc1OCCNC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C18H18BrNO3/c1-22-16-8-4-5-9-17(16)23-13-12-20-18(21)11-10-14-6-2-3-7-15(14)19/h2-11H,12-13H2,1H3,(H,20,21)/b11-10+
InChIKeyUNRMLAZKXYLEBP-ZHACJKMWSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.67
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-(5-bromo-2-methoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 26555434
3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 5217365
2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 113099769
(E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 87640882
3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 2915321
N-[2-[3-(2-bromophenyl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 78779594
3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 108935148
N-[2-(2,2-diethoxyethoxy)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 126839435
3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22685156
(E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide
CID 60565625
(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 9366008
(E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 46442777

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide (CID 26555515) is (E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide is COc1ccccc1OCCNC(=O)/C=C/c1ccccc1Br.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide?
The InChIKey is UNRMLAZKXYLEBP-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H18BrNO3/c1-22-16-8-4-5-9-17(16)23-13-12-20-18(21)11-10-14-6-2-3-7-15(14)19/h2-11H,12-13H2,1H3,(H,20,21)/b11-10+.
What are the key properties of (E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide?
(E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide has a molecular weight of 376.25 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 26555515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).