methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate

C17H27NO3 — CID 63034457

IUPACmethyl 2-(propylamino)-4-(4-propylphenoxy)butanoate
SMILESCCCNC(CCOc1ccc(CCC)cc1)C(=O)OC
InChIInChI=1S/C17H27NO3/c1-4-6-14-7-9-15(10-8-14)21-13-11-16(17(19)20-3)18-12-5-2/h7-10,16,18H,4-6,11-13H2,1-3H3
InChIKeyXAXWYMJLINQQIC-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.95
Rot. Bonds10

About methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate

methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate (PubChem CID 63034457) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-(propylamino)-4-(4-propylphenoxy)butanoate
PubChem CID63034457
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namemethyl 2-(propylamino)-4-(4-propylphenoxy)butanoate
SMILESCCCNC(CCOc1ccc(CCC)cc1)C(=O)OC
InChIInChI=1S/C17H27NO3/c1-4-6-14-7-9-15(10-8-14)21-13-11-16(17(19)20-3)18-12-5-2/h7-10,16,18H,4-6,11-13H2,1-3H3
InChIKeyXAXWYMJLINQQIC-UHFFFAOYSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate
CID 63039162
4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid
CID 63033159
methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate
CID 63033883
4-(4-butylphenoxy)-2-(propylamino)butanoic acid
CID 115493138
methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate
CID 55084996
methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate
CID 63040222
4-(4-ethoxyphenoxy)-2-(propylamino)butanamide
CID 63039148
2-(ethylamino)-4-[4-(2-methoxyethyl)phenoxy]butanamide
CID 63033346
methyl 2-(ethylamino)-4-(4-nitrophenoxy)butanoate
CID 63041490
methyl 4-[4-(hydroxymethyl)phenoxy]-2-(methylamino)butanoate
CID 63041495
4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol
CID 107710142
methyl 2-(propylamino)pentanoate
CID 60795873

Frequently Asked Questions

What is the IUPAC name of methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate?
The IUPAC name of methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate (CID 63034457) is methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate.
What is the SMILES notation for methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate?
The canonical SMILES for methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate is CCCNC(CCOc1ccc(CCC)cc1)C(=O)OC.
What is the InChIKey of methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate?
The InChIKey is XAXWYMJLINQQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-6-14-7-9-15(10-8-14)21-13-11-16(17(19)20-3)18-12-5-2/h7-10,16,18H,4-6,11-13H2,1-3H3.
What are the key properties of methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate?
methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate has a molecular weight of 293.41 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate is sourced from PubChem (CID 63034457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).