[1-acetamido-3-(ethylamino)propan-2-yl] acetate

C9H18N2O3 — CID 123458946

IUPAC[1-acetamido-3-(ethylamino)propan-2-yl] acetate
SMILESCCNCC(CNC(C)=O)OC(C)=O
InChIInChI=1S/C9H18N2O3/c1-4-10-5-9(14-8(3)13)6-11-7(2)12/h9-10H,4-6H2,1-3H3,(H,11,12)
InChIKeyOZYFOKCHNFXECU-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.34
Rot. Bonds6

About [1-acetamido-3-(ethylamino)propan-2-yl] acetate

[1-acetamido-3-(ethylamino)propan-2-yl] acetate (PubChem CID 123458946) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is [1-acetamido-3-(ethylamino)propan-2-yl] acetate.

Molecular Properties

Compound Name[1-acetamido-3-(ethylamino)propan-2-yl] acetate
PubChem CID123458946
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name[1-acetamido-3-(ethylamino)propan-2-yl] acetate
SMILESCCNCC(CNC(C)=O)OC(C)=O
InChIInChI=1S/C9H18N2O3/c1-4-10-5-9(14-8(3)13)6-11-7(2)12/h9-10H,4-6H2,1-3H3,(H,11,12)
InChIKeyOZYFOKCHNFXECU-UHFFFAOYSA-N
XLogP-0.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-acetamido-3-(ethylamino)propan-2-yl] 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 [1-acetamido-3-(ethylamino)propan-2-yl] acetate?
The IUPAC name of [1-acetamido-3-(ethylamino)propan-2-yl] acetate (CID 123458946) is [1-acetamido-3-(ethylamino)propan-2-yl] acetate.
What is the SMILES notation for [1-acetamido-3-(ethylamino)propan-2-yl] acetate?
The canonical SMILES for [1-acetamido-3-(ethylamino)propan-2-yl] acetate is CCNCC(CNC(C)=O)OC(C)=O.
What is the InChIKey of [1-acetamido-3-(ethylamino)propan-2-yl] acetate?
The InChIKey is OZYFOKCHNFXECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-10-5-9(14-8(3)13)6-11-7(2)12/h9-10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of [1-acetamido-3-(ethylamino)propan-2-yl] acetate?
[1-acetamido-3-(ethylamino)propan-2-yl] acetate has a molecular weight of 202.25 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-acetamido-3-(ethylamino)propan-2-yl] acetate is sourced from PubChem (CID 123458946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).