ethyl 2-(3,4-diethoxy-5-methyl-N-propan-2-yloxycarbonylanilino)acetate

C19H29NO6 — CID 15589073

IUPACethyl 2-(3,4-diethoxy-5-methyl-N-propan-2-yloxycarbonylanilino)acetate
SMILESCCOC(=O)CN(C(=O)OC(C)C)c1cc(C)c(OCC)c(OCC)c1
InChIInChI=1S/C19H29NO6/c1-7-23-16-11-15(10-14(6)18(16)25-9-3)20(12-17(21)24-8-2)19(22)26-13(4)5/h10-11,13H,7-9,12H2,1-6H3
InChIKeyGBFMRTGMJAISKQ-UHFFFAOYSA-N
MW367.44 g/mol
LogP3.71
Rot. Bonds9

About ethyl 2-(3,4-diethoxy-5-methyl-N-propan-2-yloxycarbonylanilino)acetate

ethyl 2-(3,4-diethoxy-5-methyl-N-propan-2-yloxycarbonylanilino)acetate (PubChem CID 15589073) has the molecular formula C19H29NO6 and a molecular weight of 367.44 g/mol. Its IUPAC name is ethyl 2-(3,4-diethoxy-5-methyl-N-propan-2-yloxycarbonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4-diethoxy-5-methyl-N-propan-2-yloxycarbonylanilino)acetate
PubChem CID15589073
Molecular FormulaC19H29NO6
Molecular Weight367.44 g/mol
Exact Mass367.20
IUPAC Nameethyl 2-(3,4-diethoxy-5-methyl-N-propan-2-yloxycarbonylanilino)acetate
SMILESCCOC(=O)CN(C(=O)OC(C)C)c1cc(C)c(OCC)c(OCC)c1
InChIInChI=1S/C19H29NO6/c1-7-23-16-11-15(10-14(6)18(16)25-9-3)20(12-17(21)24-8-2)19(22)26-13(4)5/h10-11,13H,7-9,12H2,1-6H3
InChIKeyGBFMRTGMJAISKQ-UHFFFAOYSA-N
XLogP3.71
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(3,4-diethoxy-5-methyl-N-propan-2-yloxycarbonylanilino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-diethoxy-5-methyl-N-propan-2-yloxycarbonylanilino)acetate?
The IUPAC name of ethyl 2-(3,4-diethoxy-5-methyl-N-propan-2-yloxycarbonylanilino)acetate (CID 15589073) is ethyl 2-(3,4-diethoxy-5-methyl-N-propan-2-yloxycarbonylanilino)acetate.
What is the SMILES notation for ethyl 2-(3,4-diethoxy-5-methyl-N-propan-2-yloxycarbonylanilino)acetate?
The canonical SMILES for ethyl 2-(3,4-diethoxy-5-methyl-N-propan-2-yloxycarbonylanilino)acetate is CCOC(=O)CN(C(=O)OC(C)C)c1cc(C)c(OCC)c(OCC)c1.
What is the InChIKey of ethyl 2-(3,4-diethoxy-5-methyl-N-propan-2-yloxycarbonylanilino)acetate?
The InChIKey is GBFMRTGMJAISKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO6/c1-7-23-16-11-15(10-14(6)18(16)25-9-3)20(12-17(21)24-8-2)19(22)26-13(4)5/h10-11,13H,7-9,12H2,1-6H3.
What are the key properties of ethyl 2-(3,4-diethoxy-5-methyl-N-propan-2-yloxycarbonylanilino)acetate?
ethyl 2-(3,4-diethoxy-5-methyl-N-propan-2-yloxycarbonylanilino)acetate has a molecular weight of 367.44 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-diethoxy-5-methyl-N-propan-2-yloxycarbonylanilino)acetate is sourced from PubChem (CID 15589073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).