methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate

C18H29NO3 — CID 169443554

IUPACmethyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate
SMILESCCCCN(CCCC)C(C(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C18H29NO3/c1-5-7-13-19(14-8-6-2)17(18(20)22-4)15-9-11-16(21-3)12-10-15/h9-12,17H,5-8,13-14H2,1-4H3
InChIKeyJTSMTISGAKPMOL-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.81
Rot. Bonds10

About methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate

methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate (PubChem CID 169443554) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate
PubChem CID169443554
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Namemethyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate
SMILESCCCCN(CCCC)C(C(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C18H29NO3/c1-5-7-13-19(14-8-6-2)17(18(20)22-4)15-9-11-16(21-3)12-10-15/h9-12,17H,5-8,13-14H2,1-4H3
InChIKeyJTSMTISGAKPMOL-UHFFFAOYSA-N
XLogP3.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-pentylamino]acetate
CID 58075711
methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118272342
2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol
CID 55015957
dimethyl 2,5-bis(4-methoxyphenyl)-3,4-dioxohexanedioate
CID 11165893
N-[bis(4-methoxyphenyl)methyl]-2-[butyl(ethyl)amino]acetamide
CID 34603328
2-(dibutylamino)-2-(4-fluorophenyl)acetic acid
CID 82345151
ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118271747
N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide
CID 163134565
N,N-dibutyl-4-methoxybenzamide
CID 2163395
2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 54944684
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939
bis(2-ethylhexyl) 2-(4-methoxyphenyl)propanedioate
CID 57424016

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate?
The IUPAC name of methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate (CID 169443554) is methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate is CCCCN(CCCC)C(C(=O)OC)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate?
The InChIKey is JTSMTISGAKPMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-5-7-13-19(14-8-6-2)17(18(20)22-4)15-9-11-16(21-3)12-10-15/h9-12,17H,5-8,13-14H2,1-4H3.
What are the key properties of methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate?
methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate has a molecular weight of 307.43 g/mol, XLogP of 3.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 169443554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).