ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate

C19H23NO4 — CID 10782581

IUPACethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate
SMILESCCOC(=O)CC(Nc1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23NO4/c1-4-24-19(21)13-16(20-15-8-6-5-7-9-15)14-10-11-17(22-2)18(12-14)23-3/h5-12,16,20H,4,13H2,1-3H3
InChIKeyYNLBIQCHNCNGTG-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.81
Rot. Bonds8

About ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate

ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate (PubChem CID 10782581) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate
PubChem CID10782581
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nameethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate
SMILESCCOC(=O)CC(Nc1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23NO4/c1-4-24-19(21)13-16(20-15-8-6-5-7-9-15)14-10-11-17(22-2)18(12-14)23-3/h5-12,16,20H,4,13H2,1-3H3
InChIKeyYNLBIQCHNCNGTG-UHFFFAOYSA-N
XLogP3.81
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-3-(4-iodoanilino)-1-phenylpropan-1-one
CID 132592017
2-anilino-2-(3,4-dimethoxyphenyl)acetamide
CID 61005050
3-(3-chloroanilino)-3-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
CID 132592112
methyl (3S)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375267
methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375266
methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
ethyl (3S)-3-anilinopentanoate
CID 101375253
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562
ethyl 3-(2,4-dimethoxyanilino)-3-phenylpropanoate
CID 101207114
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate
CID 171213027
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382

Frequently Asked Questions

What is the IUPAC name of ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate?
The IUPAC name of ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate (CID 10782581) is ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate is CCOC(=O)CC(Nc1ccccc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate?
The InChIKey is YNLBIQCHNCNGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-4-24-19(21)13-16(20-15-8-6-5-7-9-15)14-10-11-17(22-2)18(12-14)23-3/h5-12,16,20H,4,13H2,1-3H3.
What are the key properties of ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate?
ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate has a molecular weight of 329.40 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate is sourced from PubChem (CID 10782581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).