ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate

C16H25NO3 — CID 116694178

IUPACethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate
SMILESCCOC(=O)C(CCOC(C)C)(NC)c1ccccc1
InChIInChI=1S/C16H25NO3/c1-5-19-15(18)16(17-4,11-12-20-13(2)3)14-9-7-6-8-10-14/h6-10,13,17H,5,11-12H2,1-4H3
InChIKeyYFZWZZGWNNAWHE-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.48
Rot. Bonds8

About ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate

ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate (PubChem CID 116694178) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate
PubChem CID116694178
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate
SMILESCCOC(=O)C(CCOC(C)C)(NC)c1ccccc1
InChIInChI=1S/C16H25NO3/c1-5-19-15(18)16(17-4,11-12-20-13(2)3)14-9-7-6-8-10-14/h6-10,13,17H,5,11-12H2,1-4H3
InChIKeyYFZWZZGWNNAWHE-UHFFFAOYSA-N
XLogP2.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(methylamino)-2-phenyl-4-propan-2-ylsulfanylbutanoate
CID 116694659
methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate
CID 116694411
methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate
CID 102984075
ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate
CID 116693533
ethyl 2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)-2-phenylpropanoate
CID 107755653
ethyl 4-(2-hydroxyethylsulfanyl)-2-(methylamino)-2-phenylbutanoate
CID 116694506
ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate
CID 82006590
4-(2-ethoxyethoxy)-2-(methylamino)-2-phenylbutanamide
CID 116694151
diethyl 2-iodo-2-phenylpropanedioate
CID 168868817
methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate
CID 116694335
2-(methylamino)-4-(4-methylpentoxy)-2-phenylbutanoic acid
CID 116694125
ethyl 2-phenyl-2-(2,2,2-trifluoroethylamino)butanoate
CID 60997877

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate?
The IUPAC name of ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate (CID 116694178) is ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate.
What is the SMILES notation for ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate?
The canonical SMILES for ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate is CCOC(=O)C(CCOC(C)C)(NC)c1ccccc1.
What is the InChIKey of ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate?
The InChIKey is YFZWZZGWNNAWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-19-15(18)16(17-4,11-12-20-13(2)3)14-9-7-6-8-10-14/h6-10,13,17H,5,11-12H2,1-4H3.
What are the key properties of ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate?
ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate has a molecular weight of 279.38 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate is sourced from PubChem (CID 116694178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).