ethyl 3-benzamido-3-(4-methoxyphenyl)propanoate

C19H21NO4 — CID 3541431

IUPACethyl 3-benzamido-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C19H21NO4/c1-3-24-18(21)13-17(14-9-11-16(23-2)12-10-14)20-19(22)15-7-5-4-6-8-15/h4-12,17H,3,13H2,1-2H3,(H,20,22)
InChIKeyKHOJURUSJZKWFL-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.12
Rot. Bonds7

About ethyl 3-benzamido-3-(4-methoxyphenyl)propanoate

ethyl 3-benzamido-3-(4-methoxyphenyl)propanoate (PubChem CID 3541431) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 3-benzamido-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-benzamido-3-(4-methoxyphenyl)propanoate
PubChem CID3541431
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 3-benzamido-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C19H21NO4/c1-3-24-18(21)13-17(14-9-11-16(23-2)12-10-14)20-19(22)15-7-5-4-6-8-15/h4-12,17H,3,13H2,1-2H3,(H,20,22)
InChIKeyKHOJURUSJZKWFL-UHFFFAOYSA-N
XLogP3.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 42262
CID 42262
CID 177583
CID 177583
CID 746156
CID 746156
CID 795936
CID 795936
CID 796649
CID 796649
CID 2877039
CID 2877039
CID 77033
CID 77033
CID 3083797
CID 3083797
CID 2842756
CID 2842756
CID 710674
CID 710674
CID 493411
CID 493411
CID 720058
CID 720058

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzamido-3-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-benzamido-3-(4-methoxyphenyl)propanoate (CID 3541431) is ethyl 3-benzamido-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-benzamido-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-benzamido-3-(4-methoxyphenyl)propanoate is CCOC(=O)CC(NC(=O)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-benzamido-3-(4-methoxyphenyl)propanoate?
The InChIKey is KHOJURUSJZKWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-24-18(21)13-17(14-9-11-16(23-2)12-10-14)20-19(22)15-7-5-4-6-8-15/h4-12,17H,3,13H2,1-2H3,(H,20,22).
What are the key properties of ethyl 3-benzamido-3-(4-methoxyphenyl)propanoate?
ethyl 3-benzamido-3-(4-methoxyphenyl)propanoate has a molecular weight of 327.38 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzamido-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 3541431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).