methyl 3-(4,4-diphenylbut-3-enylamino)propanoate

C20H23NO2 — CID 71739732

IUPACmethyl 3-(4,4-diphenylbut-3-enylamino)propanoate
SMILESCOC(=O)CCNCCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-23-20(22)14-16-21-15-8-13-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-13,21H,8,14-16H2,1H3
InChIKeyBRFURZHBGNUPLX-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.66
Rot. Bonds8

About methyl 3-(4,4-diphenylbut-3-enylamino)propanoate

methyl 3-(4,4-diphenylbut-3-enylamino)propanoate (PubChem CID 71739732) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is methyl 3-(4,4-diphenylbut-3-enylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(4,4-diphenylbut-3-enylamino)propanoate
PubChem CID71739732
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namemethyl 3-(4,4-diphenylbut-3-enylamino)propanoate
SMILESCOC(=O)CCNCCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-23-20(22)14-16-21-15-8-13-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-13,21H,8,14-16H2,1H3
InChIKeyBRFURZHBGNUPLX-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 8,8-diphenyloct-7-enoate
CID 13104337
methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 86169370
N-methyl-4,4-diphenylbut-3-enamide
CID 10824648
methyl 3-[(2-hydroxyphenyl)methylamino]propanoate
CID 43139758
methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate
CID 102534464
methyl 4-benzamidobutanoate
CID 13197711
(2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid
CID 10244952
methyl (E)-3-phenylpent-3-enoate
CID 10012736
methyl 4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 60926530
methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate
CID 60925192
1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one
CID 156782996
methyl 3-(2-ethenylanilino)propanoate
CID 174296547

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,4-diphenylbut-3-enylamino)propanoate?
The IUPAC name of methyl 3-(4,4-diphenylbut-3-enylamino)propanoate (CID 71739732) is methyl 3-(4,4-diphenylbut-3-enylamino)propanoate.
What is the SMILES notation for methyl 3-(4,4-diphenylbut-3-enylamino)propanoate?
The canonical SMILES for methyl 3-(4,4-diphenylbut-3-enylamino)propanoate is COC(=O)CCNCCC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-(4,4-diphenylbut-3-enylamino)propanoate?
The InChIKey is BRFURZHBGNUPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-23-20(22)14-16-21-15-8-13-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-13,21H,8,14-16H2,1H3.
What are the key properties of methyl 3-(4,4-diphenylbut-3-enylamino)propanoate?
methyl 3-(4,4-diphenylbut-3-enylamino)propanoate has a molecular weight of 309.41 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,4-diphenylbut-3-enylamino)propanoate is sourced from PubChem (CID 71739732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).