ethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate

C15H24N2O2 — CID 106677126

IUPACethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N(C)CCCNC
InChIInChI=1S/C15H24N2O2/c1-4-19-15(18)14(13-9-6-5-7-10-13)17(3)12-8-11-16-2/h5-7,9-10,14,16H,4,8,11-12H2,1-3H3
InChIKeyCVNCOSCSQJUPAN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.83
Rot. Bonds8

About ethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate

ethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate (PubChem CID 106677126) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate
PubChem CID106677126
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N(C)CCCNC
InChIInChI=1S/C15H24N2O2/c1-4-19-15(18)14(13-9-6-5-7-10-13)17(3)12-8-11-16-2/h5-7,9-10,14,16H,4,8,11-12H2,1-3H3
InChIKeyCVNCOSCSQJUPAN-UHFFFAOYSA-N
XLogP1.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate
CID 107200700
ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate
CID 106677068
ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate
CID 106677155
ethyl 2-[ethyl(2-methoxyethyl)amino]-2-phenylacetate
CID 103873121
N-(2-aminoethyl)-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 119384601
2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid
CID 82345029
ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-phenylacetate
CID 106677134
ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118271747
2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166219948
methyl 3-[3-[methyl(propan-2-yl)amino]propylamino]-2-phenylpropanoate
CID 106036554
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-(5-hydroxypentylamino)-2-phenylacetate
CID 107318255

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate?
The IUPAC name of ethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate (CID 106677126) is ethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate is CCOC(=O)C(c1ccccc1)N(C)CCCNC.
What is the InChIKey of ethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate?
The InChIKey is CVNCOSCSQJUPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-19-15(18)14(13-9-6-5-7-10-13)17(3)12-8-11-16-2/h5-7,9-10,14,16H,4,8,11-12H2,1-3H3.
What are the key properties of ethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate?
ethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate has a molecular weight of 264.37 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate is sourced from PubChem (CID 106677126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).