methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate

C16H25NO3 — CID 60722003

IUPACmethyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate
SMILESCCC(NC(C(=O)OC)C(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H25NO3/c1-6-14(12-7-9-13(19-4)10-8-12)17-15(11(2)3)16(18)20-5/h7-11,14-15,17H,6H2,1-5H3
InChIKeyOALKELOOKPEZNY-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.93
Rot. Bonds7

About methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate

methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate (PubChem CID 60722003) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate
PubChem CID60722003
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namemethyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate
SMILESCCC(NC(C(=O)OC)C(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H25NO3/c1-6-14(12-7-9-13(19-4)10-8-12)17-15(11(2)3)16(18)20-5/h7-11,14-15,17H,6H2,1-5H3
InChIKeyOALKELOOKPEZNY-UHFFFAOYSA-N
XLogP2.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylbutanoate
CID 43508849
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
(2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol
CID 79254481
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
methyl (2S)-2-[4-(4-methoxyphenyl)butan-2-ylamino]-3-methylbutanoate
CID 43776073
4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 43708620
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol
CID 113376060
N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 55371879
ethyl 2-[1-(4-methoxyphenyl)propylamino]acetate
CID 60680894

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate?
The IUPAC name of methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate (CID 60722003) is methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate is CCC(NC(C(=O)OC)C(C)C)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate?
The InChIKey is OALKELOOKPEZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-14(12-7-9-13(19-4)10-8-12)17-15(11(2)3)16(18)20-5/h7-11,14-15,17H,6H2,1-5H3.
What are the key properties of methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate?
methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate has a molecular weight of 279.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate is sourced from PubChem (CID 60722003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).