ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate

C16H25NO4 — CID 61023762

IUPACethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
SMILESCCOC(=O)C(NC(C)CC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO4/c1-6-11(3)17-15(16(18)21-7-2)12-8-9-13(19-4)14(10-12)20-5/h8-11,15,17H,6-7H2,1-5H3
InChIKeyKXSIRXWPQVAWMN-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.70
Rot. Bonds8

About ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate

ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate (PubChem CID 61023762) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
PubChem CID61023762
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nameethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
SMILESCCOC(=O)C(NC(C)CC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO4/c1-6-11(3)17-15(16(18)21-7-2)12-8-9-13(19-4)14(10-12)20-5/h8-11,15,17H,6-7H2,1-5H3
InChIKeyKXSIRXWPQVAWMN-UHFFFAOYSA-N
XLogP2.70
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61024813
ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate
CID 54908339
ethyl 2-(butan-2-ylamino)-2-(3,4-dibromophenyl)acetate
CID 114077402
2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026746
2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 54908186
ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate
CID 114937457
methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate
CID 60788044
ethyl 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)acetate
CID 60788246
ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 74828202
ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961319
methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate
CID 61024922
2-(3,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754348

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate?
The IUPAC name of ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate (CID 61023762) is ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate is CCOC(=O)C(NC(C)CC)c1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate?
The InChIKey is KXSIRXWPQVAWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-6-11(3)17-15(16(18)21-7-2)12-8-9-13(19-4)14(10-12)20-5/h8-11,15,17H,6-7H2,1-5H3.
What are the key properties of ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate?
ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate has a molecular weight of 295.38 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 61023762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).