[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate

C19H21ClN2O5 — CID 8732816

IUPAC[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
SMILESCCNC(=O)[C@H](C)NC(=O)COC(=O)COc1ccc(Cl)c2ccccc12
InChIInChI=1S/C19H21ClN2O5/c1-3-21-19(25)12(2)22-17(23)10-27-18(24)11-26-16-9-8-15(20)13-6-4-5-7-14(13)16/h4-9,12H,3,10-11H2,1-2H3,(H,21,25)(H,22,23)/t12-/m0/s1
InChIKeyJAMKJCXRPRGDAS-LBPRGKRZSA-N
MW392.84 g/mol
LogP2.06
Rot. Bonds8

About [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate

[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate (PubChem CID 8732816) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate.

Molecular Properties

Compound Name[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
PubChem CID8732816
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC Name[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
SMILESCCNC(=O)[C@H](C)NC(=O)COC(=O)COc1ccc(Cl)c2ccccc12
InChIInChI=1S/C19H21ClN2O5/c1-3-21-19(25)12(2)22-17(23)10-27-18(24)11-26-16-9-8-15(20)13-6-4-5-7-14(13)16/h4-9,12H,3,10-11H2,1-2H3,(H,21,25)(H,22,23)/t12-/m0/s1
InChIKeyJAMKJCXRPRGDAS-LBPRGKRZSA-N
XLogP2.06
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate with MolForge

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Related Compounds

[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 9197744
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732823
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 24683076
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 9203232
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732373
2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide
CID 43575741
(2S)-N-ethyl-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 8750931
[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8665860
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 8808989
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018937
phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732424
2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide
CID 27745141

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The IUPAC name of [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate (CID 8732816) is [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate.
What is the SMILES notation for [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The canonical SMILES for [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate is CCNC(=O)[C@H](C)NC(=O)COC(=O)COc1ccc(Cl)c2ccccc12.
What is the InChIKey of [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The InChIKey is JAMKJCXRPRGDAS-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-3-21-19(25)12(2)22-17(23)10-27-18(24)11-26-16-9-8-15(20)13-6-4-5-7-14(13)16/h4-9,12H,3,10-11H2,1-2H3,(H,21,25)(H,22,23)/t12-/m0/s1.
What are the key properties of [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate has a molecular weight of 392.84 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate is sourced from PubChem (CID 8732816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).