methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate

C15H23NO3 — CID 116955534

IUPACmethyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate
SMILESCNC(CCC(=O)OC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)19-13-7-5-12(6-8-13)14(16-3)9-10-15(17)18-4/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyCVVOITHAHNWGPB-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.69
Rot. Bonds7

About methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate

methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate (PubChem CID 116955534) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate
PubChem CID116955534
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate
SMILESCNC(CCC(=O)OC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)19-13-7-5-12(6-8-13)14(16-3)9-10-15(17)18-4/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyCVVOITHAHNWGPB-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate
CID 54927572
N-methyl-1-(4-propan-2-yloxyphenyl)hexan-1-amine
CID 43485534
methyl 4-hydroxy-3-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate
CID 82348500
4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 105144752
methyl 4-(methylamino)-4-(3-methylphenyl)butanoate
CID 116955565
methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 116955498
methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932725
methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate
CID 60889536
methyl 4-(4-hydroxyphenoxy)pentanoate
CID 12919284
2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103546700
bis(4-propan-2-yloxyphenyl) hexanedioate
CID 4299383
methyl 3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 163480884

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate?
The IUPAC name of methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate (CID 116955534) is methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate.
What is the SMILES notation for methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate?
The canonical SMILES for methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate is CNC(CCC(=O)OC)c1ccc(OC(C)C)cc1.
What is the InChIKey of methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate?
The InChIKey is CVVOITHAHNWGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)19-13-7-5-12(6-8-13)14(16-3)9-10-15(17)18-4/h5-8,11,14,16H,9-10H2,1-4H3.
What are the key properties of methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate?
methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate is sourced from PubChem (CID 116955534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).