[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate

C15H22N2O3 — CID 102706272

IUPAC[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCC(=O)N(C)C(C)C)cc1N
InChIInChI=1S/C15H22N2O3/c1-9(2)17(5)14(18)8-20-15(19)12-7-13(16)11(4)6-10(12)3/h6-7,9H,8,16H2,1-5H3
InChIKeyJJFBNPPBSJLHPN-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.91
Rot. Bonds4

About [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate (PubChem CID 102706272) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate
PubChem CID102706272
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCC(=O)N(C)C(C)C)cc1N
InChIInChI=1S/C15H22N2O3/c1-9(2)17(5)14(18)8-20-15(19)12-7-13(16)11(4)6-10(12)3/h6-7,9H,8,16H2,1-5H3
InChIKeyJJFBNPPBSJLHPN-UHFFFAOYSA-N
XLogP1.91
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 4-amino-2,5-difluorobenzoate
CID 104700324
[2-oxo-2-(propan-2-ylamino)ethyl] 5-amino-2,4-dimethylbenzoate
CID 104538497
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methylbenzoate
CID 61320786
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate
CID 55401208
2-methoxyethyl 5-amino-2,4-dimethylbenzoate
CID 104538496
ethyl 4,5-diamino-2-methylbenzoate
CID 171024820
5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 102705513
[3-oxo-3-(propan-2-ylamino)propyl] 5-amino-2,4-dimethylbenzoate
CID 102706150
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate
CID 81092336
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414457
[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate
CID 102706148
(2,6-dimethylphenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706186

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate?
The IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate (CID 102706272) is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate.
What is the SMILES notation for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate?
The canonical SMILES for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate is Cc1cc(C)c(C(=O)OCC(=O)N(C)C(C)C)cc1N.
What is the InChIKey of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate?
The InChIKey is JJFBNPPBSJLHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(2)17(5)14(18)8-20-15(19)12-7-13(16)11(4)6-10(12)3/h6-7,9H,8,16H2,1-5H3.
What are the key properties of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate?
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate has a molecular weight of 278.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate is sourced from PubChem (CID 102706272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).