ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate

C17H28N2O2 — CID 116693533

IUPACethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate
SMILESCCOC(=O)C(CCN(CC)CC)(NC)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-5-19(6-2)14-13-17(18-4,16(20)21-7-3)15-11-9-8-10-12-15/h8-12,18H,5-7,13-14H2,1-4H3
InChIKeyGUOIHVQEBVSUPL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.40
Rot. Bonds9

About ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate

ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate (PubChem CID 116693533) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate.

Molecular Properties

Compound Nameethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate
PubChem CID116693533
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nameethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate
SMILESCCOC(=O)C(CCN(CC)CC)(NC)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-5-19(6-2)14-13-17(18-4,16(20)21-7-3)15-11-9-8-10-12-15/h8-12,18H,5-7,13-14H2,1-4H3
InChIKeyGUOIHVQEBVSUPL-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(2-methylpropyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693639
ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate
CID 116694178
ethyl 4-(2-hydroxyethylsulfanyl)-2-(methylamino)-2-phenylbutanoate
CID 116694506
ethyl 2-(methylamino)-2-phenyl-4-propan-2-ylsulfanylbutanoate
CID 116694659
ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate
CID 82006590
ethyl 2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)-2-phenylpropanoate
CID 107755653
[4-(diethylamino)-2,2-diphenylbutyl]carbamic acid
CID 22767225
4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693705
ethyl 2-phenyl-2-(2,2,2-trifluoroethylamino)butanoate
CID 60997877
4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693715
4-(2-ethoxyethoxy)-2-(methylamino)-2-phenylbutanamide
CID 116694151
diethyl 2-azido-2-phenylpropanedioate
CID 14066098

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate?
The IUPAC name of ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate (CID 116693533) is ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate.
What is the SMILES notation for ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate?
The canonical SMILES for ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate is CCOC(=O)C(CCN(CC)CC)(NC)c1ccccc1.
What is the InChIKey of ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate?
The InChIKey is GUOIHVQEBVSUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-19(6-2)14-13-17(18-4,16(20)21-7-3)15-11-9-8-10-12-15/h8-12,18H,5-7,13-14H2,1-4H3.
What are the key properties of ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate?
ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate has a molecular weight of 292.42 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate is sourced from PubChem (CID 116693533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).