ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-(2-methoxyphenyl)-2-methylbutanoate

C19H29NO5 — CID 10937051

IUPACethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-(2-methoxyphenyl)-2-methylbutanoate
SMILESCCOC(=O)CCNC(Cc1ccccc1OC)C(C)C(=O)OCC
InChIInChI=1S/C19H29NO5/c1-5-24-18(21)11-12-20-16(14(3)19(22)25-6-2)13-15-9-7-8-10-17(15)23-4/h7-10,14,16,20H,5-6,11-13H2,1-4H3
InChIKeyGMGLKKCECDEVFU-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.35
Rot. Bonds11

About ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-(2-methoxyphenyl)-2-methylbutanoate

ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-(2-methoxyphenyl)-2-methylbutanoate (PubChem CID 10937051) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-(2-methoxyphenyl)-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-(2-methoxyphenyl)-2-methylbutanoate
PubChem CID10937051
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Nameethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-(2-methoxyphenyl)-2-methylbutanoate
SMILESCCOC(=O)CCNC(Cc1ccccc1OC)C(C)C(=O)OCC
InChIInChI=1S/C19H29NO5/c1-5-24-18(21)11-12-20-16(14(3)19(22)25-6-2)13-15-9-7-8-10-17(15)23-4/h7-10,14,16,20H,5-6,11-13H2,1-4H3
InChIKeyGMGLKKCECDEVFU-UHFFFAOYSA-N
XLogP2.35
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-(2-methoxyphenyl)-2-methylbutanoate?
The IUPAC name of ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-(2-methoxyphenyl)-2-methylbutanoate (CID 10937051) is ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-(2-methoxyphenyl)-2-methylbutanoate.
What is the SMILES notation for ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-(2-methoxyphenyl)-2-methylbutanoate?
The canonical SMILES for ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-(2-methoxyphenyl)-2-methylbutanoate is CCOC(=O)CCNC(Cc1ccccc1OC)C(C)C(=O)OCC.
What is the InChIKey of ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-(2-methoxyphenyl)-2-methylbutanoate?
The InChIKey is GMGLKKCECDEVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5/c1-5-24-18(21)11-12-20-16(14(3)19(22)25-6-2)13-15-9-7-8-10-17(15)23-4/h7-10,14,16,20H,5-6,11-13H2,1-4H3.
What are the key properties of ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-(2-methoxyphenyl)-2-methylbutanoate?
ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-(2-methoxyphenyl)-2-methylbutanoate has a molecular weight of 351.44 g/mol, XLogP of 2.35, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-(2-methoxyphenyl)-2-methylbutanoate is sourced from PubChem (CID 10937051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).