(2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

C19H24BrNO4 — CID 7568813

IUPAC(2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCOc1cc(Br)c(C=O)cc1O[C@H](C)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H24BrNO4/c1-13(19(23)21-9-8-14-6-4-3-5-7-14)25-18-10-15(12-22)16(20)11-17(18)24-2/h6,10-13H,3-5,7-9H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyKJMKJSAXABWKMO-CYBMUJFWSA-N
MW410.31 g/mol
LogP4.04
Rot. Bonds8

About (2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

(2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 7568813) has the molecular formula C19H24BrNO4 and a molecular weight of 410.31 g/mol. Its IUPAC name is (2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID7568813
Molecular FormulaC19H24BrNO4
Molecular Weight410.31 g/mol
Exact Mass409.09
IUPAC Name(2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCOc1cc(Br)c(C=O)cc1O[C@H](C)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H24BrNO4/c1-13(19(23)21-9-8-14-6-4-3-5-7-14)25-18-10-15(12-22)16(20)11-17(18)24-2/h6,10-13H,3-5,7-9H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyKJMKJSAXABWKMO-CYBMUJFWSA-N
XLogP4.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112777989
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766371
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 8011368
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 925253
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92684033
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 8013356
methyl (2R)-2-(5-bromo-4-formyl-2-methoxyphenoxy)propanoate
CID 42573582
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7653794
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 8663494
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8665170
[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3-methoxybenzoate
CID 17474059
N-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trimethoxybenzamide
CID 838037

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 7568813) is (2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is COc1cc(Br)c(C=O)cc1O[C@H](C)C(=O)NCCC1=CCCCC1.
What is the InChIKey of (2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is KJMKJSAXABWKMO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24BrNO4/c1-13(19(23)21-9-8-14-6-4-3-5-7-14)25-18-10-15(12-22)16(20)11-17(18)24-2/h6,10-13H,3-5,7-9H2,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
(2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 410.31 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 7568813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).