ethyl 3-anilino-5-phenylpent-2-enoate

C19H21NO2 — CID 174917860

IUPACethyl 3-anilino-5-phenylpent-2-enoate
SMILESCCOC(=O)C=C(CCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C19H21NO2/c1-2-22-19(21)15-18(20-17-11-7-4-8-12-17)14-13-16-9-5-3-6-10-16/h3-12,15,20H,2,13-14H2,1H3
InChIKeyYIRBSVJMIPRYMF-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.18
Rot. Bonds7

About ethyl 3-anilino-5-phenylpent-2-enoate

ethyl 3-anilino-5-phenylpent-2-enoate (PubChem CID 174917860) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 3-anilino-5-phenylpent-2-enoate.

Molecular Properties

Compound Nameethyl 3-anilino-5-phenylpent-2-enoate
PubChem CID174917860
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Nameethyl 3-anilino-5-phenylpent-2-enoate
SMILESCCOC(=O)C=C(CCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C19H21NO2/c1-2-22-19(21)15-18(20-17-11-7-4-8-12-17)14-13-16-9-5-3-6-10-16/h3-12,15,20H,2,13-14H2,1H3
InChIKeyYIRBSVJMIPRYMF-UHFFFAOYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-anilinodec-2-enoate
CID 68860790
ethyl (E)-3-anilino-3-ethoxyprop-2-enoate
CID 134965234
ethyl (E)-4-oxo-4-[3-(3-phenylpropanoylamino)anilino]but-2-enoate
CID 17222811
ethyl 3-benzyl-4-phenylbut-2-enoate
CID 10850364
ethyl (E)-4-oxo-4-[[4-(3-phenylpropanoylamino)phenyl]carbamothioylamino]but-2-enoate
CID 17233713
methyl 3-ethyl-5-phenylpent-2-enoate
CID 71347838
ethyl 3-imino-5-phenylpentanoate
CID 58878336
ethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate
CID 23254114
ethyl (Z)-3-methyl-4-phenylbut-2-enoate
CID 14661101
ethyl 2-imino-4-phenylbutanoate
CID 89001230
3-ethoxycarbonyl-5-phenylpent-2-enoic acid
CID 54034231
ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate
CID 11120432

Frequently Asked Questions

What is the IUPAC name of ethyl 3-anilino-5-phenylpent-2-enoate?
The IUPAC name of ethyl 3-anilino-5-phenylpent-2-enoate (CID 174917860) is ethyl 3-anilino-5-phenylpent-2-enoate.
What is the SMILES notation for ethyl 3-anilino-5-phenylpent-2-enoate?
The canonical SMILES for ethyl 3-anilino-5-phenylpent-2-enoate is CCOC(=O)C=C(CCc1ccccc1)Nc1ccccc1.
What is the InChIKey of ethyl 3-anilino-5-phenylpent-2-enoate?
The InChIKey is YIRBSVJMIPRYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-22-19(21)15-18(20-17-11-7-4-8-12-17)14-13-16-9-5-3-6-10-16/h3-12,15,20H,2,13-14H2,1H3.
What are the key properties of ethyl 3-anilino-5-phenylpent-2-enoate?
ethyl 3-anilino-5-phenylpent-2-enoate has a molecular weight of 295.38 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-anilino-5-phenylpent-2-enoate is sourced from PubChem (CID 174917860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).