methyl 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoate

C16H24N2O3 — CID 8792754

IUPACmethyl 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoate
SMILESCCN(CC(=O)NC(C)C)Cc1cccc(C(=O)OC)c1
InChIInChI=1S/C16H24N2O3/c1-5-18(11-15(19)17-12(2)3)10-13-7-6-8-14(9-13)16(20)21-4/h6-9,12H,5,10-11H2,1-4H3,(H,17,19)
InChIKeyJGANTFAVJNYRMD-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.82
Rot. Bonds7

About methyl 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoate

methyl 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoate (PubChem CID 8792754) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoate
PubChem CID8792754
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoate
SMILESCCN(CC(=O)NC(C)C)Cc1cccc(C(=O)OC)c1
InChIInChI=1S/C16H24N2O3/c1-5-18(11-15(19)17-12(2)3)10-13-7-6-8-14(9-13)16(20)21-4/h6-9,12H,5,10-11H2,1-4H3,(H,17,19)
InChIKeyJGANTFAVJNYRMD-UHFFFAOYSA-N
XLogP1.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoate 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 methyl 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoate?
The IUPAC name of methyl 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoate (CID 8792754) is methyl 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoate?
The canonical SMILES for methyl 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoate is CCN(CC(=O)NC(C)C)Cc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoate?
The InChIKey is JGANTFAVJNYRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-18(11-15(19)17-12(2)3)10-13-7-6-8-14(9-13)16(20)21-4/h6-9,12H,5,10-11H2,1-4H3,(H,17,19).
What are the key properties of methyl 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoate?
methyl 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoate has a molecular weight of 292.38 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoate is sourced from PubChem (CID 8792754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).