methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate

C16H25NO2 — CID 65235254

IUPACmethyl 3-(ethylamino)-3-(4-propylphenyl)butanoate
SMILESCCCc1ccc(C(C)(CC(=O)OC)NCC)cc1
InChIInChI=1S/C16H25NO2/c1-5-7-13-8-10-14(11-9-13)16(3,17-6-2)12-15(18)19-4/h8-11,17H,5-7,12H2,1-4H3
InChIKeyGVDMNYBIMLXZAD-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.03
Rot. Bonds7

About methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate

methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate (PubChem CID 65235254) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 3-(ethylamino)-3-(4-propylphenyl)butanoate
PubChem CID65235254
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemethyl 3-(ethylamino)-3-(4-propylphenyl)butanoate
SMILESCCCc1ccc(C(C)(CC(=O)OC)NCC)cc1
InChIInChI=1S/C16H25NO2/c1-5-7-13-8-10-14(11-9-13)16(3,17-6-2)12-15(18)19-4/h8-11,17H,5-7,12H2,1-4H3
InChIKeyGVDMNYBIMLXZAD-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate
CID 65233555
methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate
CID 61001430
3-(ethylamino)-3-(4-methylphenyl)butanoic acid
CID 65236813
3-methyl-3-(4-propylphenyl)butan-2-one
CID 82282891
methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate
CID 159099314
3-(ethylamino)-3-[4-(trifluoromethyl)phenyl]butanoic acid
CID 65234264
3-(4-ethoxyphenyl)-3-(ethylamino)butanoic acid
CID 65233871
methyl 2-(4-propylphenoxy)acetate
CID 19911850
3-(ethylamino)-3-(4-phenylphenyl)butanoic acid
CID 65233928
(4-tert-butylphenyl)-(4-propylphenyl)methanone
CID 24723303
methyl 4-oxo-4-(4-propylphenyl)butanoate
CID 82116427
methyl 4-oxo-5-(4-propylphenyl)pentanoate
CID 63900279

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate?
The IUPAC name of methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate (CID 65235254) is methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate.
What is the SMILES notation for methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate?
The canonical SMILES for methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate is CCCc1ccc(C(C)(CC(=O)OC)NCC)cc1.
What is the InChIKey of methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate?
The InChIKey is GVDMNYBIMLXZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-7-13-8-10-14(11-9-13)16(3,17-6-2)12-15(18)19-4/h8-11,17H,5-7,12H2,1-4H3.
What are the key properties of methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate?
methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate has a molecular weight of 263.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate is sourced from PubChem (CID 65235254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).