ethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate

C21H25NO5 — CID 6736819

IUPACethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)OCCc1cccc(OC)c1
InChIInChI=1S/C21H25NO5/c1-3-26-20(23)19(15-16-8-5-4-6-9-16)22-21(24)27-13-12-17-10-7-11-18(14-17)25-2/h4-11,14,19H,3,12-13,15H2,1-2H3,(H,22,24)
InChIKeyUMOMRCKIJOOBFH-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.14
Rot. Bonds9

About ethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate

ethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate (PubChem CID 6736819) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is ethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate
PubChem CID6736819
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Nameethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)OCCc1cccc(OC)c1
InChIInChI=1S/C21H25NO5/c1-3-26-20(23)19(15-16-8-5-4-6-9-16)22-21(24)27-13-12-17-10-7-11-18(14-17)25-2/h4-11,14,19H,3,12-13,15H2,1-2H3,(H,22,24)
InChIKeyUMOMRCKIJOOBFH-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 10522314
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 16564846
ethyl 3-(3-methoxyphenyl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 66582630
(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamodithioic acid
CID 11780574
ethyl (2S)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoate
CID 25257147
nonyl 3-phenyl-2-(propoxycarbonylamino)propanoate
CID 6423362
ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 11131238
ethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate
CID 6733974
ethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate
CID 102029792
methyl (2S)-3-[4-[3-(4-methoxyphenoxy)phenoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate
CID 135082555
ethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate
CID 31100769
ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate
CID 79040770

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate?
The IUPAC name of ethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate (CID 6736819) is ethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)NC(=O)OCCc1cccc(OC)c1.
What is the InChIKey of ethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate?
The InChIKey is UMOMRCKIJOOBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-3-26-20(23)19(15-16-8-5-4-6-9-16)22-21(24)27-13-12-17-10-7-11-18(14-17)25-2/h4-11,14,19H,3,12-13,15H2,1-2H3,(H,22,24).
What are the key properties of ethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate?
ethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate has a molecular weight of 371.43 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate is sourced from PubChem (CID 6736819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).