ethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate

C20H23NO3 — CID 102524333

IUPACethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate
SMILESCCOC(=O)/C=C(/CC(Nc1ccccc1)c1ccccc1)OC
InChIInChI=1S/C20H23NO3/c1-3-24-20(22)15-18(23-2)14-19(16-10-6-4-7-11-16)21-17-12-8-5-9-13-17/h4-13,15,19,21H,3,14H2,1-2H3/b18-15-
InChIKeySMBFSKWCIBAZTR-SDXDJHTJSA-N
MW325.41 g/mol
LogP4.32
Rot. Bonds8

About ethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate

ethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate (PubChem CID 102524333) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate
PubChem CID102524333
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate
SMILESCCOC(=O)/C=C(/CC(Nc1ccccc1)c1ccccc1)OC
InChIInChI=1S/C20H23NO3/c1-3-24-20(22)15-18(23-2)14-19(16-10-6-4-7-11-16)21-17-12-8-5-9-13-17/h4-13,15,19,21H,3,14H2,1-2H3/b18-15-
InChIKeySMBFSKWCIBAZTR-SDXDJHTJSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
ethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate
CID 11572497
(E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one
CID 102290866
methyl (3S)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375267
methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375266
ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate
CID 10782581
ethyl (Z)-5-(4-bromophenyl)-3,5-dimethoxypent-2-enoate
CID 102109372
benzyl (E)-3,5-dimethoxy-5-phenylpent-2-enoate
CID 71723279
ethyl (Z)-3-methyl-5-phenyldec-2-enoate
CID 101265966
ethyl (E)-3-anilino-3-ethoxyprop-2-enoate
CID 134965234
tert-butyl (3R)-3-anilino-3-phenylpropanoate
CID 134904442
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate?
The IUPAC name of ethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate (CID 102524333) is ethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate.
What is the SMILES notation for ethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate?
The canonical SMILES for ethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate is CCOC(=O)/C=C(/CC(Nc1ccccc1)c1ccccc1)OC.
What is the InChIKey of ethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate?
The InChIKey is SMBFSKWCIBAZTR-SDXDJHTJSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-24-20(22)15-18(23-2)14-19(16-10-6-4-7-11-16)21-17-12-8-5-9-13-17/h4-13,15,19,21H,3,14H2,1-2H3/b18-15-.
What are the key properties of ethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate?
ethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate has a molecular weight of 325.41 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate is sourced from PubChem (CID 102524333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).