methyl 3-(cyclobutylmethoxy)-5-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]benzoate

C19H26N2O5 — CID 70705008

IUPACmethyl 3-(cyclobutylmethoxy)-5-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]benzoate
SMILESCNC(=O)C(C)(C)NC(=O)c1cc(OCC2CCC2)cc(C(=O)OC)c1
InChIInChI=1S/C19H26N2O5/c1-19(2,18(24)20-3)21-16(22)13-8-14(17(23)25-4)10-15(9-13)26-11-12-6-5-7-12/h8-10,12H,5-7,11H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyDMYUHGCKKSPBFV-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.91
Rot. Bonds7

About methyl 3-(cyclobutylmethoxy)-5-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]benzoate

methyl 3-(cyclobutylmethoxy)-5-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]benzoate (PubChem CID 70705008) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 3-(cyclobutylmethoxy)-5-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-(cyclobutylmethoxy)-5-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]benzoate
PubChem CID70705008
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namemethyl 3-(cyclobutylmethoxy)-5-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]benzoate
SMILESCNC(=O)C(C)(C)NC(=O)c1cc(OCC2CCC2)cc(C(=O)OC)c1
InChIInChI=1S/C19H26N2O5/c1-19(2,18(24)20-3)21-16(22)13-8-14(17(23)25-4)10-15(9-13)26-11-12-6-5-7-12/h8-10,12H,5-7,11H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyDMYUHGCKKSPBFV-UHFFFAOYSA-N
XLogP1.91
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclobutylmethoxy)-5-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]benzoate?
The IUPAC name of methyl 3-(cyclobutylmethoxy)-5-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]benzoate (CID 70705008) is methyl 3-(cyclobutylmethoxy)-5-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 3-(cyclobutylmethoxy)-5-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 3-(cyclobutylmethoxy)-5-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]benzoate is CNC(=O)C(C)(C)NC(=O)c1cc(OCC2CCC2)cc(C(=O)OC)c1.
What is the InChIKey of methyl 3-(cyclobutylmethoxy)-5-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]benzoate?
The InChIKey is DMYUHGCKKSPBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-19(2,18(24)20-3)21-16(22)13-8-14(17(23)25-4)10-15(9-13)26-11-12-6-5-7-12/h8-10,12H,5-7,11H2,1-4H3,(H,20,24)(H,21,22).
What are the key properties of methyl 3-(cyclobutylmethoxy)-5-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]benzoate?
methyl 3-(cyclobutylmethoxy)-5-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]benzoate has a molecular weight of 362.43 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclobutylmethoxy)-5-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]benzoate is sourced from PubChem (CID 70705008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).