methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate

C16H24N2O2 — CID 63906606

IUPACmethyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate
SMILESCCNC(CN(C)c1ccccc1)(C(=O)OC)C1CC1
InChIInChI=1S/C16H24N2O2/c1-4-17-16(13-10-11-13,15(19)20-3)12-18(2)14-8-6-5-7-9-14/h5-9,13,17H,4,10-12H2,1-3H3
InChIKeyRMWVJCFLLZQQBJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.05
Rot. Bonds7

About methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate

methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate (PubChem CID 63906606) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate
PubChem CID63906606
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate
SMILESCCNC(CN(C)c1ccccc1)(C(=O)OC)C1CC1
InChIInChI=1S/C16H24N2O2/c1-4-17-16(13-10-11-13,15(19)20-3)12-18(2)14-8-6-5-7-9-14/h5-9,13,17H,4,10-12H2,1-3H3
InChIKeyRMWVJCFLLZQQBJ-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
CID 63906010
2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid
CID 63919243
2-cyclopropyl-3-(N,4-dimethylanilino)-2-(propylamino)propanoic acid
CID 63927007
methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate
CID 63905526
methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate
CID 63920379
methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate
CID 63921337
methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
CID 79309047
methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate
CID 63919798
2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid
CID 63919210
methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate
CID 63920176
methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate
CID 63909571
methyl 3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanoate
CID 63919116

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate (CID 63906606) is methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate is CCNC(CN(C)c1ccccc1)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate?
The InChIKey is RMWVJCFLLZQQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-17-16(13-10-11-13,15(19)20-3)12-18(2)14-8-6-5-7-9-14/h5-9,13,17H,4,10-12H2,1-3H3.
What are the key properties of methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate?
methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate has a molecular weight of 276.38 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate is sourced from PubChem (CID 63906606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).