methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate

C19H19NO3 — CID 102534464

IUPACmethyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO3/c1-23-18(21)12-13-20-19(22)17(16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,20,22)/b17-14+
InChIKeyBHLSCHDOUASDPX-SAPNQHFASA-N
MW309.37 g/mol
LogP2.91
Rot. Bonds6

About methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate

methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate (PubChem CID 102534464) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate
PubChem CID102534464
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO3/c1-23-18(21)12-13-20-19(22)17(16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,20,22)/b17-14+
InChIKeyBHLSCHDOUASDPX-SAPNQHFASA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-methoxyethyl)-2,3-diphenylprop-2-enamide
CID 19174350
ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate
CID 4270908
2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
CID 2897013
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 2290505
2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718287
(E)-2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718290
ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate
CID 11289421
methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate
CID 101482031
(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide
CID 6523064
(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 889128
(Z)-N-(2-morpholin-4-ylethyl)-2,3-diphenylprop-2-enamide
CID 890168
(Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
CID 19327946

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate?
The IUPAC name of methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate (CID 102534464) is methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate?
The canonical SMILES for methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate is COC(=O)CCNC(=O)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate?
The InChIKey is BHLSCHDOUASDPX-SAPNQHFASA-N. The full InChI is InChI=1S/C19H19NO3/c1-23-18(21)12-13-20-19(22)17(16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,20,22)/b17-14+.
What are the key properties of methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate?
methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate has a molecular weight of 309.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate is sourced from PubChem (CID 102534464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).