ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate

C21H25NO4 — CID 7310480

IUPACethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
SMILESCCOC(=O)C[C@@H](NC(=O)c1cccc(C)c1)c1ccc(OCC)cc1
InChIInChI=1S/C21H25NO4/c1-4-25-18-11-9-16(10-12-18)19(14-20(23)26-5-2)22-21(24)17-8-6-7-15(3)13-17/h6-13,19H,4-5,14H2,1-3H3,(H,22,24)/t19-/m1/s1
InChIKeyILILPPRMJLYNKD-LJQANCHMSA-N
MW355.43 g/mol
LogP3.82
Rot. Bonds8

About ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate

ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate (PubChem CID 7310480) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
PubChem CID7310480
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Nameethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
SMILESCCOC(=O)C[C@@H](NC(=O)c1cccc(C)c1)c1ccc(OCC)cc1
InChIInChI=1S/C21H25NO4/c1-4-25-18-11-9-16(10-12-18)19(14-20(23)26-5-2)22-21(24)17-8-6-7-15(3)13-17/h6-13,19H,4-5,14H2,1-3H3,(H,22,24)/t19-/m1/s1
InChIKeyILILPPRMJLYNKD-LJQANCHMSA-N
XLogP3.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310542
(3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 6925782
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-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55880256
ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 3534137
3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid
CID 3369154
ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 5164713
ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
CID 3541433
ethyl (3R)-3-(4-methylphenyl)-3-[(3-nitrobenzoyl)amino]propanoate
CID 7310583
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
CID 43916366
ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7310426

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate?
The IUPAC name of ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate (CID 7310480) is ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate.
What is the SMILES notation for ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate?
The canonical SMILES for ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate is CCOC(=O)C[C@@H](NC(=O)c1cccc(C)c1)c1ccc(OCC)cc1.
What is the InChIKey of ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate?
The InChIKey is ILILPPRMJLYNKD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-25-18-11-9-16(10-12-18)19(14-20(23)26-5-2)22-21(24)17-8-6-7-15(3)13-17/h6-13,19H,4-5,14H2,1-3H3,(H,22,24)/t19-/m1/s1.
What are the key properties of ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate?
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate has a molecular weight of 355.43 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 7310480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).