methyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate

C19H26N2O6 — CID 46613942

IUPACmethyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)COC(=O)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C19H26N2O6/c1-12(2)8-15(19(25)26-4)21-16(22)11-27-17(23)10-20-18(24)14-7-5-6-13(3)9-14/h5-7,9,12,15H,8,10-11H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyHQVHLNIIIAKMJY-UHFFFAOYSA-N
MW378.43 g/mol
LogP0.97
Rot. Bonds9

About methyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate

methyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate (PubChem CID 46613942) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is methyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate
PubChem CID46613942
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Namemethyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)COC(=O)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C19H26N2O6/c1-12(2)8-15(19(25)26-4)21-16(22)11-27-17(23)10-20-18(24)14-7-5-6-13(3)9-14/h5-7,9,12,15H,8,10-11H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyHQVHLNIIIAKMJY-UHFFFAOYSA-N
XLogP0.97
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate with MolForge

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Related Compounds

methyl 4-methyl-2-[[2-[2-[(4-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate
CID 46683960
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363764
methyl 4-methyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]pentanoate
CID 51064933
[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364158
methyl 4-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 9364094
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364103
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018914
[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364084
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881991
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 40676131
methyl (2S)-2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 59948585

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate (CID 46613942) is methyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)COC(=O)CNC(=O)c1cccc(C)c1.
What is the InChIKey of methyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate?
The InChIKey is HQVHLNIIIAKMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-12(2)8-15(19(25)26-4)21-16(22)11-27-17(23)10-20-18(24)14-7-5-6-13(3)9-14/h5-7,9,12,15H,8,10-11H2,1-4H3,(H,20,24)(H,21,22).
What are the key properties of methyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate?
methyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate has a molecular weight of 378.43 g/mol, XLogP of 0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate is sourced from PubChem (CID 46613942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).