methyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate

C19H25NO3 — CID 57495388

IUPACmethyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)/C(C)=C/C=C/c1ccccc1
InChIInChI=1S/C19H25NO3/c1-16(10-9-13-17-11-5-3-6-12-17)19(22)20-15-8-4-7-14-18(21)23-2/h3,5-6,9-13H,4,7-8,14-15H2,1-2H3,(H,20,22)/b13-9+,16-10+
InChIKeyYVGYLPKPRLVILJ-WVLBTEBZSA-N
MW315.41 g/mol
LogP3.50
Rot. Bonds9

About methyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate

methyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate (PubChem CID 57495388) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is methyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate
PubChem CID57495388
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Namemethyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)/C(C)=C/C=C/c1ccccc1
InChIInChI=1S/C19H25NO3/c1-16(10-9-13-17-11-5-3-6-12-17)19(22)20-15-8-4-7-14-18(21)23-2/h3,5-6,9-13H,4,7-8,14-15H2,1-2H3,(H,20,22)/b13-9+,16-10+
InChIKeyYVGYLPKPRLVILJ-WVLBTEBZSA-N
XLogP3.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.50
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate with MolForge

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Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide
CID 88603250
methyl 8-oxo-8-(3-phenylprop-2-enylamino)octanoate
CID 66958561
(2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide
CID 6076664
methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate
CID 76543369
methyl 8-[(2E)-2-benzylidenehydrazinyl]-8-oxooctanoate
CID 23864470
methyl 6-(2-phenylpropanoylamino)hexanoate
CID 104916813
methyl 6-[(phenylcarbamothioylamino)carbamothioylamino]hexanoate
CID 8618429
methyl 6-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]hexanoate
CID 111134975
methyl 6-[[(Z)-1-phenylethylideneamino]carbamothioylamino]hexanoate
CID 9350356
methyl 6-[[4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoyl]amino]hexanoate
CID 43004185
methyl 6-(benzylideneamino)hexanoate
CID 11020797
methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate?
The IUPAC name of methyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate (CID 57495388) is methyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate is COC(=O)CCCCCNC(=O)/C(C)=C/C=C/c1ccccc1.
What is the InChIKey of methyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate?
The InChIKey is YVGYLPKPRLVILJ-WVLBTEBZSA-N. The full InChI is InChI=1S/C19H25NO3/c1-16(10-9-13-17-11-5-3-6-12-17)19(22)20-15-8-4-7-14-18(21)23-2/h3,5-6,9-13H,4,7-8,14-15H2,1-2H3,(H,20,22)/b13-9+,16-10+.
What are the key properties of methyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate?
methyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate has a molecular weight of 315.41 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate is sourced from PubChem (CID 57495388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).