methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate

C19H25NO4 — CID 76543369

IUPACmethyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)C=CC=Cc1ccc(OC)cc1
InChIInChI=1S/C19H25NO4/c1-23-17-13-11-16(12-14-17)8-5-6-9-18(21)20-15-7-3-4-10-19(22)24-2/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3,(H,20,21)
InChIKeyXAQKOOVRAVEZQI-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.11
Rot. Bonds10

About methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate

methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate (PubChem CID 76543369) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate
PubChem CID76543369
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Namemethyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)C=CC=Cc1ccc(OC)cc1
InChIInChI=1S/C19H25NO4/c1-23-17-13-11-16(12-14-17)8-5-6-9-18(21)20-15-7-3-4-10-19(22)24-2/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3,(H,20,21)
InChIKeyXAQKOOVRAVEZQI-UHFFFAOYSA-N
XLogP3.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate with MolForge

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Related Compounds

3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 24705756
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
(E)-N-(2-chloroethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6434079
methyl 4-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]butanoate
CID 115343650
N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide
CID 85068732
ethyl-[3-[3-(4-methoxyphenyl)prop-2-enoylamino]propyl]-dimethylazanium
CID 90891358
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 2097972
(2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide
CID 42631047
N-hydroxy-5-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]pentanamide
CID 57495401
methyl 4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butanoate
CID 102534511
methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate
CID 66958409

Frequently Asked Questions

What is the IUPAC name of methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate?
The IUPAC name of methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate (CID 76543369) is methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate.
What is the SMILES notation for methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate?
The canonical SMILES for methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate is COC(=O)CCCCCNC(=O)C=CC=Cc1ccc(OC)cc1.
What is the InChIKey of methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate?
The InChIKey is XAQKOOVRAVEZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-23-17-13-11-16(12-14-17)8-5-6-9-18(21)20-15-7-3-4-10-19(22)24-2/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3,(H,20,21).
What are the key properties of methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate?
methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate has a molecular weight of 331.41 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate is sourced from PubChem (CID 76543369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).