methyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate

C16H24N2O3 — CID 106276941

IUPACmethyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate
SMILESCNC(=O)C(C)(C)CNCC(C(=O)OC)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,15(20)17-3)11-18-10-13(14(19)21-4)12-8-6-5-7-9-12/h5-9,13,18H,10-11H2,1-4H3,(H,17,20)
InChIKeyCVYKQYVYZHUSBS-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.30
Rot. Bonds7

About methyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate

methyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate (PubChem CID 106276941) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate
PubChem CID106276941
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate
SMILESCNC(=O)C(C)(C)CNCC(C(=O)OC)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,15(20)17-3)11-18-10-13(14(19)21-4)12-8-6-5-7-9-12/h5-9,13,18H,10-11H2,1-4H3,(H,17,20)
InChIKeyCVYKQYVYZHUSBS-UHFFFAOYSA-N
XLogP1.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate
CID 106275985
methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate
CID 65106276
methyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-phenylpropanoate
CID 106256464
methyl 3-(4-methoxybutylamino)-2-phenylpropanoate
CID 64560952
methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate
CID 64565637
methyl 3-methylsulfonyl-2-phenylpropanoate
CID 64560571
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
3-[(2-hydroxy-2-methylpropyl)amino]-2-phenylpropanoic acid
CID 65107456
methyl 3-(4-methylanilino)-2-phenylpropanoate
CID 64567482
methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate
CID 64567480
2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106278540
methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate
CID 64565029

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate?
The IUPAC name of methyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate (CID 106276941) is methyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate is CNC(=O)C(C)(C)CNCC(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate?
The InChIKey is CVYKQYVYZHUSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,15(20)17-3)11-18-10-13(14(19)21-4)12-8-6-5-7-9-12/h5-9,13,18H,10-11H2,1-4H3,(H,17,20).
What are the key properties of methyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate?
methyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate has a molecular weight of 292.38 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate is sourced from PubChem (CID 106276941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).