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

C17H27NO2 — CID 65233940

IUPACethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate
SMILESCCNC(CC(=O)OCC)(CC(C)C)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-5-18-17(12-14(3)4,13-16(19)20-6-2)15-10-8-7-9-11-15/h7-11,14,18H,5-6,12-13H2,1-4H3
InChIKeyJOZSQIZTOHQQLF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.49
Rot. Bonds8

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

ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate (PubChem CID 65233940) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate.

Molecular Properties

Compound Nameethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate
PubChem CID65233940
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nameethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate
SMILESCCNC(CC(=O)OCC)(CC(C)C)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-5-18-17(12-14(3)4,13-16(19)20-6-2)15-10-8-7-9-11-15/h7-11,14,18H,5-6,12-13H2,1-4H3
InChIKeyJOZSQIZTOHQQLF-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate
CID 64542234
methyl 3-(ethylamino)-3-phenylhexanoate
CID 65235194
2-(ethylamino)-4-methyl-2-phenylpentanoic acid
CID 43753793
ethyl 3-chloro-6-methyl-3-phenylheptanoate
CID 57008076
3-(ethylamino)-4-methoxy-3-phenylbutanamide
CID 103466305
3-(ethylamino)-4-methoxy-3-phenylbutanoic acid
CID 103466302
ethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate
CID 114989601
ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868091
ethyl (E,3S)-3-phenyl-3-propan-2-ylhex-4-enoate
CID 11448350
5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate
CID 11716297
2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol
CID 64802794
diethyl 3,3-bis(2-methylpropyl)pentanedioate
CID 18618080

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate?
The IUPAC name of ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate (CID 65233940) is ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate.
What is the SMILES notation for ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate?
The canonical SMILES for ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate is CCNC(CC(=O)OCC)(CC(C)C)c1ccccc1.
What is the InChIKey of ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate?
The InChIKey is JOZSQIZTOHQQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-18-17(12-14(3)4,13-16(19)20-6-2)15-10-8-7-9-11-15/h7-11,14,18H,5-6,12-13H2,1-4H3.
What are the key properties of ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate?
ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate has a molecular weight of 277.41 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate is sourced from PubChem (CID 65233940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).