methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate

C17H28N2O2 — CID 65486901

IUPACmethyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate
SMILESCCCNC(C)(CN(C)CCc1ccccc1)C(=O)OC
InChIInChI=1S/C17H28N2O2/c1-5-12-18-17(2,16(20)21-4)14-19(3)13-11-15-9-7-6-8-10-15/h6-10,18H,5,11-14H2,1-4H3
InChIKeyRNMJGCRLZSMRBL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.09
Rot. Bonds9

About methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate

methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate (PubChem CID 65486901) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate
PubChem CID65486901
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Namemethyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate
SMILESCCCNC(C)(CN(C)CCc1ccccc1)C(=O)OC
InChIInChI=1S/C17H28N2O2/c1-5-12-18-17(2,16(20)21-4)14-19(3)13-11-15-9-7-6-8-10-15/h6-10,18H,5,11-14H2,1-4H3
InChIKeyRNMJGCRLZSMRBL-UHFFFAOYSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 65487856
methyl 2-(ethylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
CID 65487667
methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
CID 65485948
methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate
CID 65487858
ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate
CID 65487091
methyl (2S)-2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-2-methylpentanoate
CID 95322159
methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate
CID 55226782
2-methyl-3-phenyl-2-(propylamino)propanamide
CID 114988742
2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol
CID 64825661
1-[methyl(2-phenylethyl)amino]pentan-2-one
CID 65486864
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
2-methyl-3-[methyl(2-phenylethyl)amino]-2-phenylpropan-1-ol
CID 65485963

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate (CID 65486901) is methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate is CCCNC(C)(CN(C)CCc1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate?
The InChIKey is RNMJGCRLZSMRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-12-18-17(2,16(20)21-4)14-19(3)13-11-15-9-7-6-8-10-15/h6-10,18H,5,11-14H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate?
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate has a molecular weight of 292.42 g/mol, XLogP of 2.09, 9 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-phenylethyl)amino]-2-(propylamino)propanoate is sourced from PubChem (CID 65486901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).