methyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate

C24H23NO3 — CID 132560936

IUPACmethyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)[C@H](Nc1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO3/c1-18(24(26)27-2)23(25-21-11-7-4-8-12-21)20-13-15-22(16-14-20)28-17-19-9-5-3-6-10-19/h3-16,23,25H,1,17H2,2H3/t23-/m0/s1
InChIKeyQCINLDKBFHSRSG-QHCPKHFHSA-N
MW373.45 g/mol
LogP5.15
Rot. Bonds8

About methyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate

methyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate (PubChem CID 132560936) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is methyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate
PubChem CID132560936
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Namemethyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)[C@H](Nc1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO3/c1-18(24(26)27-2)23(25-21-11-7-4-8-12-21)20-13-15-22(16-14-20)28-17-19-9-5-3-6-10-19/h3-16,23,25H,1,17H2,2H3/t23-/m0/s1
InChIKeyQCINLDKBFHSRSG-QHCPKHFHSA-N
XLogP5.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.15
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

methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
CID 90753894
methyl 2-[(R)-anilino-(3-methylphenyl)methyl]prop-2-enoate
CID 132560929
2-(4-phenylmethoxyanilino)propanoic acid
CID 22078170
ethyl 2-[anilino-(4-bromophenyl)methyl]prop-2-enoate
CID 123595092
methyl 3-anilino-2-methylidene-5-phenylpentanoate
CID 132560939
dimethyl 2-[(4-phenylmethoxyanilino)methylidene]propanedioate
CID 140877905
methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 18443703
methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate
CID 101385943
ethyl 2-anilino-2-(4-methoxyphenyl)acetate
CID 60992586
methyl (2R)-4-oxo-2-(4-phenylmethoxyphenyl)butanoate
CID 86314561
methyl 4-oxo-3-(4-phenylmethoxyphenyl)butanoate
CID 118619469
(3S)-3-(4-fluoroanilino)-3-(4-phenylmethoxyphenyl)propanoic acid
CID 46944618

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate (CID 132560936) is methyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate is C=C(C(=O)OC)[C@H](Nc1ccccc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate?
The InChIKey is QCINLDKBFHSRSG-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H23NO3/c1-18(24(26)27-2)23(25-21-11-7-4-8-12-21)20-13-15-22(16-14-20)28-17-19-9-5-3-6-10-19/h3-16,23,25H,1,17H2,2H3/t23-/m0/s1.
What are the key properties of methyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate?
methyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate has a molecular weight of 373.45 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate is sourced from PubChem (CID 132560936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).