ethyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-methylphenyl)propanoate

C22H25NO4 — CID 119037247

IUPACethyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(C)cc1)NC(=O)/C=C/c1cccc(OC)c1
InChIInChI=1S/C22H25NO4/c1-4-27-22(25)20(15-18-10-8-16(2)9-11-18)23-21(24)13-12-17-6-5-7-19(14-17)26-3/h5-14,20H,4,15H2,1-3H3,(H,23,24)/b13-12+
InChIKeyKZAAGVBQGQOLRY-OUKQBFOZSA-N
MW367.45 g/mol
LogP3.31
Rot. Bonds8

About ethyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-methylphenyl)propanoate

ethyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-methylphenyl)propanoate (PubChem CID 119037247) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-methylphenyl)propanoate
PubChem CID119037247
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Nameethyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(C)cc1)NC(=O)/C=C/c1cccc(OC)c1
InChIInChI=1S/C22H25NO4/c1-4-27-22(25)20(15-18-10-8-16(2)9-11-18)23-21(24)13-12-17-6-5-7-19(14-17)26-3/h5-14,20H,4,15H2,1-3H3,(H,23,24)/b13-12+
InChIKeyKZAAGVBQGQOLRY-OUKQBFOZSA-N
XLogP3.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoylamino]-3-phenylpropanoate
CID 123180402
(E)-N-(1-aminobutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 82354320
2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 43091753
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
ethyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoate
CID 43877540
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(3-methoxyphenyl)prop-2-enamide
CID 79252669
(E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide
CID 7948884
(E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 7761266
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
methyl (2S)-2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 68667164
(E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 103850896
ethyl 6-(3-methoxyphenyl)-4-oxohex-5-enoate
CID 175343436

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-methylphenyl)propanoate?
The IUPAC name of ethyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-methylphenyl)propanoate (CID 119037247) is ethyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for ethyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for ethyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-methylphenyl)propanoate is CCOC(=O)C(Cc1ccc(C)cc1)NC(=O)/C=C/c1cccc(OC)c1.
What is the InChIKey of ethyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-methylphenyl)propanoate?
The InChIKey is KZAAGVBQGQOLRY-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H25NO4/c1-4-27-22(25)20(15-18-10-8-16(2)9-11-18)23-21(24)13-12-17-6-5-7-19(14-17)26-3/h5-14,20H,4,15H2,1-3H3,(H,23,24)/b13-12+.
What are the key properties of ethyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-methylphenyl)propanoate?
ethyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-methylphenyl)propanoate has a molecular weight of 367.45 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 119037247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).