methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate

C16H25NO3 — CID 63034614

IUPACmethyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate
SMILESCCNC(CCOCCCc1ccccc1)C(=O)OC
InChIInChI=1S/C16H25NO3/c1-3-17-15(16(18)19-2)11-13-20-12-7-10-14-8-5-4-6-9-14/h4-6,8-9,15,17H,3,7,10-13H2,1-2H3
InChIKeyBBFPSHMULGVOOG-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.18
Rot. Bonds10

About methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate

methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate (PubChem CID 63034614) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate
PubChem CID63034614
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namemethyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate
SMILESCCNC(CCOCCCc1ccccc1)C(=O)OC
InChIInChI=1S/C16H25NO3/c1-3-17-15(16(18)19-2)11-13-20-12-7-10-14-8-5-4-6-9-14/h4-6,8-9,15,17H,3,7,10-13H2,1-2H3
InChIKeyBBFPSHMULGVOOG-UHFFFAOYSA-N
XLogP2.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(cyclopropylamino)-4-(3-phenylpropoxy)butanoate
CID 63034786
methyl 2-(ethylamino)-4-(4-methylpentoxy)butanoate
CID 63041531
methyl 2-(3-phenylpropylamino)hexanoate
CID 113341951
4-(3-phenylpropoxy)-2-(propan-2-ylamino)butanoic acid
CID 63035140
(2R)-2-(ethylamino)-5-phenylpentanoic acid
CID 151918023
methyl 2-(2-phenylethylamino)hexanoate
CID 103868302
methyl 4-hydroxy-2-(propylamino)butanoate;3-phenylpropan-1-ol
CID 174808720
methyl 4-benzylsulfanyl-2-(ethylamino)butanoate
CID 63034825
methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate
CID 65487284
methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate
CID 15193085
methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate
CID 106204341
methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 55143393

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate?
The IUPAC name of methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate (CID 63034614) is methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate.
What is the SMILES notation for methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate?
The canonical SMILES for methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate is CCNC(CCOCCCc1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate?
The InChIKey is BBFPSHMULGVOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-17-15(16(18)19-2)11-13-20-12-7-10-14-8-5-4-6-9-14/h4-6,8-9,15,17H,3,7,10-13H2,1-2H3.
What are the key properties of methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate?
methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate has a molecular weight of 279.38 g/mol, XLogP of 2.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate is sourced from PubChem (CID 63034614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).