methyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate

C15H22N2O4 — CID 60696764

IUPACmethyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate
SMILESCOCC(C)NC(=O)CN(C)c1ccccc1C(=O)OC
InChIInChI=1S/C15H22N2O4/c1-11(10-20-3)16-14(18)9-17(2)13-8-6-5-7-12(13)15(19)21-4/h5-8,11H,9-10H2,1-4H3,(H,16,18)
InChIKeyDTBJAXSFECZXLL-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.06
Rot. Bonds7

About methyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate

methyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate (PubChem CID 60696764) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate
PubChem CID60696764
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate
SMILESCOCC(C)NC(=O)CN(C)c1ccccc1C(=O)OC
InChIInChI=1S/C15H22N2O4/c1-11(10-20-3)16-14(18)9-17(2)13-8-6-5-7-12(13)15(19)21-4/h5-8,11H,9-10H2,1-4H3,(H,16,18)
InChIKeyDTBJAXSFECZXLL-UHFFFAOYSA-N
XLogP1.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate with MolForge

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Related Compounds

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CID 117029506
methyl 2-[methyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoate
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2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 55037894
methyl 2-[2-hydroxybutyl(methyl)amino]benzoate
CID 62028637
2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94897721
methyl 2-[methyl(prop-2-enyl)amino]benzoate
CID 60695038
N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide
CID 40811799
N-[(2R)-1-methoxypropan-2-yl]-3,3-diphenylpropanamide
CID 7299747
methyl 2-[2-cyanoethyl(methyl)amino]benzoate
CID 60694305
3-(2-methoxycarbonyl-N-methylanilino)-2,2-dimethylpropanoic acid
CID 79619521
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]benzoate
CID 114933153
methyl 2-[methyl(2-methylsulfonylethyl)amino]benzoate
CID 62027116

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate?
The IUPAC name of methyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate (CID 60696764) is methyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate.
What is the SMILES notation for methyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate?
The canonical SMILES for methyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate is COCC(C)NC(=O)CN(C)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate?
The InChIKey is DTBJAXSFECZXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(10-20-3)16-14(18)9-17(2)13-8-6-5-7-12(13)15(19)21-4/h5-8,11H,9-10H2,1-4H3,(H,16,18).
What are the key properties of methyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate?
methyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate has a molecular weight of 294.35 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate is sourced from PubChem (CID 60696764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).