ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate

C21H25NO5 — CID 55880256

IUPACethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccc(OCC)cc1)c1cccc(OC)c1
InChIInChI=1S/C21H25NO5/c1-4-26-17-11-9-15(10-12-17)21(24)22-19(14-20(23)27-5-2)16-7-6-8-18(13-16)25-3/h6-13,19H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyZTBXJISCQDCPCN-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.52
Rot. Bonds9

About ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate

ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate (PubChem CID 55880256) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate
PubChem CID55880256
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Nameethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccc(OCC)cc1)c1cccc(OC)c1
InChIInChI=1S/C21H25NO5/c1-4-26-17-11-9-15(10-12-17)21(24)22-19(14-20(23)27-5-2)16-7-6-8-18(13-16)25-3/h6-13,19H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyZTBXJISCQDCPCN-UHFFFAOYSA-N
XLogP3.52
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate
CID 55879744
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443
ethyl (3S)-3-[(4-ethoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7045180
ethyl 3-[(4-ethoxy-3-nitrobenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55878599
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310480
ethyl 3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55876426
ethyl 3-[(2-iodo-3-methylbenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55879116
ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310542
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7044467
ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65236327
ethyl 3-[(3-fluoro-4-methyl-5-nitrobenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55878610

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate (CID 55880256) is ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate is CCOC(=O)CC(NC(=O)c1ccc(OCC)cc1)c1cccc(OC)c1.
What is the InChIKey of ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate?
The InChIKey is ZTBXJISCQDCPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-4-26-17-11-9-15(10-12-17)21(24)22-19(14-20(23)27-5-2)16-7-6-8-18(13-16)25-3/h6-13,19H,4-5,14H2,1-3H3,(H,22,24).
What are the key properties of ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate?
ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate has a molecular weight of 371.43 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate is sourced from PubChem (CID 55880256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).