methyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate

C18H24ClNO6 — CID 46608421

IUPACmethyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)COC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C18H24ClNO6/c1-11(2)8-15(18(23)24-4)20-16(21)10-25-17(22)12(3)26-14-7-5-6-13(19)9-14/h5-7,9,11-12,15H,8,10H2,1-4H3,(H,20,21)
InChIKeyORPDYIDMORKAGG-UHFFFAOYSA-N
MW385.84 g/mol
LogP2.35
Rot. Bonds9

About methyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate

methyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate (PubChem CID 46608421) has the molecular formula C18H24ClNO6 and a molecular weight of 385.84 g/mol. Its IUPAC name is methyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate
PubChem CID46608421
Molecular FormulaC18H24ClNO6
Molecular Weight385.84 g/mol
Exact Mass385.13
IUPAC Namemethyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)COC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C18H24ClNO6/c1-11(2)8-15(18(23)24-4)20-16(21)10-25-17(22)12(3)26-14-7-5-6-13(19)9-14/h5-7,9,11-12,15H,8,10H2,1-4H3,(H,20,21)
InChIKeyORPDYIDMORKAGG-UHFFFAOYSA-N
XLogP2.35
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate with MolForge

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Related Compounds

methyl 2-[[2-[2-(4-bromophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate
CID 55400206
(2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate
CID 55322194
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8868247
methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate
CID 52652389
methyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 9229346
N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride
CID 119586806
methyl (2S)-2-[[2-[2-(5-chloro-2-methoxyphenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 8616671
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018914
methyl (2S)-2-[[2-(4-chloro-2-methoxyphenyl)acetyl]amino]-4-methylpentanoate
CID 57259362
methyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 9202776
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(3-chlorophenoxy)propanoate
CID 46793726
(2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 92679279

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate (CID 46608421) is methyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)COC(=O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of methyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate?
The InChIKey is ORPDYIDMORKAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO6/c1-11(2)8-15(18(23)24-4)20-16(21)10-25-17(22)12(3)26-14-7-5-6-13(19)9-14/h5-7,9,11-12,15H,8,10H2,1-4H3,(H,20,21).
What are the key properties of methyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate?
methyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate has a molecular weight of 385.84 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate is sourced from PubChem (CID 46608421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).