ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate

C14H18ClNO4 — CID 47368061

IUPACethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO4/c1-4-19-14(18)9(2)16-13(17)10(3)20-12-7-5-6-11(15)8-12/h5-10H,4H2,1-3H3,(H,16,17)
InChIKeyMASLWTXUIWIDSW-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.18
Rot. Bonds6

About ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate

ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate (PubChem CID 47368061) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
PubChem CID47368061
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Nameethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO4/c1-4-19-14(18)9(2)16-13(17)10(3)20-12-7-5-6-11(15)8-12/h5-10H,4H2,1-3H3,(H,16,17)
InChIKeyMASLWTXUIWIDSW-UHFFFAOYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 62227029
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide
CID 120505567
(2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide
CID 40537766
ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate
CID 47494461
2-(3-chlorophenoxy)-N-heptan-2-ylpropanamide
CID 4097223
2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 78780294
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride
CID 119586806
ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 47393625
N-(1-bromo-3-methylbutan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 114316058

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate?
The IUPAC name of ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate (CID 47368061) is ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate.
What is the SMILES notation for ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate?
The canonical SMILES for ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate is CCOC(=O)C(C)NC(=O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate?
The InChIKey is MASLWTXUIWIDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-4-19-14(18)9(2)16-13(17)10(3)20-12-7-5-6-11(15)8-12/h5-10H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate?
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate has a molecular weight of 299.75 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate is sourced from PubChem (CID 47368061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).