methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate

C15H21NO3 — CID 55007974

IUPACmethyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C15H21NO3/c1-10-6-11(2)8-13(7-10)14(17)16(4)9-12(3)15(18)19-5/h6-8,12H,9H2,1-5H3
InChIKeyMXGHWSHUMRZMJC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.18
Rot. Bonds4

About methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate

methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate (PubChem CID 55007974) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate
PubChem CID55007974
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C15H21NO3/c1-10-6-11(2)8-13(7-10)14(17)16(4)9-12(3)15(18)19-5/h6-8,12H,9H2,1-5H3
InChIKeyMXGHWSHUMRZMJC-UHFFFAOYSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate
CID 114822109
methyl 3-[(3-bromo-5-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008265
methyl 3-[(3-chlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008439
methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate
CID 78950585
methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate
CID 104782621
methyl 2-methyl-3-[methyl-(3-methylfuran-2-carbonyl)amino]propanoate
CID 55008207
methyl 3-[(3-bromo-4-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 103707468
methyl 3-[(6-bromopyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 66463709
methyl (2R)-2-methyl-3-[methyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]propanoate
CID 95045095
3,5-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913842
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008393

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate (CID 55007974) is methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)c1cc(C)cc(C)c1.
What is the InChIKey of methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate?
The InChIKey is MXGHWSHUMRZMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-6-11(2)8-13(7-10)14(17)16(4)9-12(3)15(18)19-5/h6-8,12H,9H2,1-5H3.
What are the key properties of methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate?
methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate has a molecular weight of 263.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 55007974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).