ethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate

C17H27NO2 — CID 64542234

IUPACethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate
SMILESCCOC(=O)CC(CC(C)C)(c1ccccc1)N(C)C
InChIInChI=1S/C17H27NO2/c1-6-20-16(19)13-17(18(4)5,12-14(2)3)15-10-8-7-9-11-15/h7-11,14H,6,12-13H2,1-5H3
InChIKeyPSGLRHVHALCUOA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.44
Rot. Bonds7

About ethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate

ethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate (PubChem CID 64542234) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate
PubChem CID64542234
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nameethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate
SMILESCCOC(=O)CC(CC(C)C)(c1ccccc1)N(C)C
InChIInChI=1S/C17H27NO2/c1-6-20-16(19)13-17(18(4)5,12-14(2)3)15-10-8-7-9-11-15/h7-11,14H,6,12-13H2,1-5H3
InChIKeyPSGLRHVHALCUOA-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate
CID 65233940
ethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate
CID 64539878
ethyl 3-chloro-6-methyl-3-phenylheptanoate
CID 57008076
ethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate
CID 10215894
ethyl 3-(4-tert-butylphenyl)-3-(dimethylamino)butanoate
CID 64541814
ethyl (E,3S)-3-phenyl-3-propan-2-ylhex-4-enoate
CID 11448350
2-(dimethylamino)-4-methyl-2-phenylpentanoic acid
CID 43803067
diethyl 3,3-bis(2-methylpropyl)pentanedioate
CID 18618080
ethyl 3-hydroxy-5-methyl-3-phenyl-2-propan-2-ylhexanoate
CID 62396401
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate
CID 11716297
ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868091

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate?
The IUPAC name of ethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate (CID 64542234) is ethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate.
What is the SMILES notation for ethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate?
The canonical SMILES for ethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate is CCOC(=O)CC(CC(C)C)(c1ccccc1)N(C)C.
What is the InChIKey of ethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate?
The InChIKey is PSGLRHVHALCUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-20-16(19)13-17(18(4)5,12-14(2)3)15-10-8-7-9-11-15/h7-11,14H,6,12-13H2,1-5H3.
What are the key properties of ethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate?
ethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate has a molecular weight of 277.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate is sourced from PubChem (CID 64542234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).