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Methyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate

C19H26N2O6 — CID 42939175

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)COC(=O)C(C)NC(=O)C(C)(C)C)c1
InChIInChI=1S/C19H26N2O6/c1-11-7-8-13(17(24)26-6)9-14(11)21-15(22)10-27-16(23)12(2)20-18(25)19(3,4)5/h7-9,12H,10H2,1-6H3,(H,20,25)(H,21,22)
InChIKeyJVMTYKOFZFSMJY-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.81
Rot. Bonds6

About Methyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate

Methyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate (PubChem CID 42939175) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is methyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate.

Molecular Properties

Compound NameMethyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate
PubChem CID42939175
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Namemethyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)COC(=O)C(C)NC(=O)C(C)(C)C)c1
InChIInChI=1S/C19H26N2O6/c1-11-7-8-13(17(24)26-6)9-14(11)21-15(22)10-27-16(23)12(2)20-18(25)19(3,4)5/h7-9,12H,10H2,1-6H3,(H,20,25)(H,21,22)
InChIKeyJVMTYKOFZFSMJY-UHFFFAOYSA-N
XLogP1.81
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Methyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate?
The IUPAC name of Methyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate (CID 42939175) is methyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate.
What is the SMILES notation for Methyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate?
The canonical SMILES for Methyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)COC(=O)C(C)NC(=O)C(C)(C)C)c1.
What is the InChIKey of Methyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate?
The InChIKey is JVMTYKOFZFSMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-11-7-8-13(17(24)26-6)9-14(11)21-15(22)10-27-16(23)12(2)20-18(25)19(3,4)5/h7-9,12H,10H2,1-6H3,(H,20,25)(H,21,22).
What are the key properties of Methyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate?
Methyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate has a molecular weight of 378.43 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate is sourced from PubChem (CID 42939175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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