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

C15H23NO3 — CID 54918211

IUPACmethyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate
SMILESCCCNC(CC)(C(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-5-11-16-15(6-2,14(17)19-4)12-7-9-13(18-3)10-8-12/h7-10,16H,5-6,11H2,1-4H3
InChIKeyRTTSYFPYLVZSRG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.47
Rot. Bonds7

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

methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate (PubChem CID 54918211) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate
PubChem CID54918211
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate
SMILESCCCNC(CC)(C(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-5-11-16-15(6-2,14(17)19-4)12-7-9-13(18-3)10-8-12/h7-10,16H,5-6,11H2,1-4H3
InChIKeyRTTSYFPYLVZSRG-UHFFFAOYSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate
CID 60797022
methyl 2-(4-methoxyphenyl)-2-(prop-2-ynylamino)butanoate
CID 62365811
2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
CID 43754043
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
methyl 2-(2-azidoethylamino)-2-(4-hydroxyphenyl)butanoate
CID 66190623
methyl 2-(4-bromophenyl)-2-(prop-2-ynylamino)butanoate
CID 62365459
2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid
CID 61002875
2-(cyclopentylamino)-2-(4-methoxyphenyl)butanamide
CID 60998135
2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate
CID 20813224
methyl 2-(4-bromophenyl)-2-(methylamino)butanoate
CID 60787393
methyl 2-(4-bromophenyl)-2-(cyclopropylmethylamino)butanoate
CID 54894117
methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate
CID 54894019

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate (CID 54918211) is methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate is CCCNC(CC)(C(=O)OC)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate?
The InChIKey is RTTSYFPYLVZSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-11-16-15(6-2,14(17)19-4)12-7-9-13(18-3)10-8-12/h7-10,16H,5-6,11H2,1-4H3.
What are the key properties of methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate?
methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate is sourced from PubChem (CID 54918211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).