methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate

C14H21NO3 — CID 63040222

IUPACmethyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate
SMILESCCNC(CCOc1ccc(C)cc1)C(=O)OC
InChIInChI=1S/C14H21NO3/c1-4-15-13(14(16)17-3)9-10-18-12-7-5-11(2)6-8-12/h5-8,13,15H,4,9-10H2,1-3H3
InChIKeyQZCFOOJFASOJFR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.92
Rot. Bonds7

About methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate

methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate (PubChem CID 63040222) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate
PubChem CID63040222
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate
SMILESCCNC(CCOc1ccc(C)cc1)C(=O)OC
InChIInChI=1S/C14H21NO3/c1-4-15-13(14(16)17-3)9-10-18-12-7-5-11(2)6-8-12/h5-8,13,15H,4,9-10H2,1-3H3
InChIKeyQZCFOOJFASOJFR-UHFFFAOYSA-N
XLogP1.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate
CID 63033883
methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate
CID 63039162
methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate
CID 55142996
methyl 2-(ethylamino)-4-(4-nitrophenoxy)butanoate
CID 63041490
methyl 4-(3,5-difluorophenoxy)-2-(ethylamino)butanoate
CID 63033189
methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate
CID 63034457
2-(ethylamino)-4-(4-propoxyphenoxy)butanamide
CID 63033885
ethyl 2-(ethylamino)-4-(3-methylphenoxy)butanoate
CID 63041210
methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 55143393
2-(ethylamino)-4-[4-(2-methoxyethyl)phenoxy]butanamide
CID 63033346
methyl 2-(ethylamino)-4-methoxybutanoate
CID 63041387
ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate
CID 63038782

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate?
The IUPAC name of methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate (CID 63040222) is methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate.
What is the SMILES notation for methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate?
The canonical SMILES for methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate is CCNC(CCOc1ccc(C)cc1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate?
The InChIKey is QZCFOOJFASOJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-15-13(14(16)17-3)9-10-18-12-7-5-11(2)6-8-12/h5-8,13,15H,4,9-10H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate?
methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate has a molecular weight of 251.33 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate is sourced from PubChem (CID 63040222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).