methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate

C16H24N2O3 — CID 60966133

IUPACmethyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C16H24N2O3/c1-12-5-7-14(8-6-12)9-17-15(19)11-18(3)10-13(2)16(20)21-4/h5-8,13H,9-11H2,1-4H3,(H,17,19)
InChIKeyQOLNYFGYCDJQDD-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.35
Rot. Bonds7

About methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate

methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate (PubChem CID 60966133) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate
PubChem CID60966133
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C16H24N2O3/c1-12-5-7-14(8-6-12)9-17-15(19)11-18(3)10-13(2)16(20)21-4/h5-8,13H,9-11H2,1-4H3,(H,17,19)
InChIKeyQOLNYFGYCDJQDD-UHFFFAOYSA-N
XLogP1.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 62014386
methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 43398385
methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60966267
3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60988089
N-[[4-(methoxymethyl)phenyl]methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 87012824
2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63064153
2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide
CID 63761523
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 42540138
2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 95974994
methyl 2-methyl-3-[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]propanoate;hydroiodide
CID 111245474
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 27242216

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate (CID 60966133) is methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate is COC(=O)C(C)CN(C)CC(=O)NCc1ccc(C)cc1.
What is the InChIKey of methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate?
The InChIKey is QOLNYFGYCDJQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-5-7-14(8-6-12)9-17-15(19)11-18(3)10-13(2)16(20)21-4/h5-8,13H,9-11H2,1-4H3,(H,17,19).
What are the key properties of methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate?
methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate has a molecular weight of 292.38 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 60966133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).