methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate

C15H23NO4 — CID 61024922

IUPACmethyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate
SMILESCCC(C)NC(C(=O)OC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H23NO4/c1-6-10(2)16-14(15(17)20-5)11-7-12(18-3)9-13(8-11)19-4/h7-10,14,16H,6H2,1-5H3
InChIKeyAXZUNTNVYDUOQW-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.31
Rot. Bonds7

About methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate

methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate (PubChem CID 61024922) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate
PubChem CID61024922
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate
SMILESCCC(C)NC(C(=O)OC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H23NO4/c1-6-10(2)16-14(15(17)20-5)11-7-12(18-3)9-13(8-11)19-4/h7-10,14,16H,6H2,1-5H3
InChIKeyAXZUNTNVYDUOQW-UHFFFAOYSA-N
XLogP2.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61024813
methyl 2-(butan-2-ylamino)-2-(4-chlorophenyl)acetate
CID 54908422
2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 58785891
methyl 2-(3-bromo-4-chlorophenyl)-2-(butan-2-ylamino)acetate
CID 83230709
methyl 2-(4-bromo-3-fluorophenyl)-2-(butan-2-ylamino)acetate
CID 81436887
ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61023762
2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754392
2-(3,5-dimethoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 54891131
N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide
CID 78530824
2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 54908186
methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60786504
methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 55071502

Frequently Asked Questions

What is the IUPAC name of methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate?
The IUPAC name of methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate (CID 61024922) is methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate?
The canonical SMILES for methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate is CCC(C)NC(C(=O)OC)c1cc(OC)cc(OC)c1.
What is the InChIKey of methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate?
The InChIKey is AXZUNTNVYDUOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-6-10(2)16-14(15(17)20-5)11-7-12(18-3)9-13(8-11)19-4/h7-10,14,16H,6H2,1-5H3.
What are the key properties of methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate?
methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate has a molecular weight of 281.35 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate is sourced from PubChem (CID 61024922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).