ethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate

C18H27NO3 — CID 72737307

IUPACethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate
SMILESCCOC(=O)C(NC(=O)C(C)(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H27NO3/c1-8-22-16(20)15(19-17(21)18(5,6)7)14-12(3)9-11(2)10-13(14)4/h9-10,15H,8H2,1-7H3,(H,19,21)
InChIKeyCKTVRWWWKPLQMN-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.38
Rot. Bonds4

About ethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate

ethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate (PubChem CID 72737307) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is ethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate
PubChem CID72737307
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nameethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate
SMILESCCOC(=O)C(NC(=O)C(C)(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H27NO3/c1-8-22-16(20)15(19-17(21)18(5,6)7)14-12(3)9-11(2)10-13(14)4/h9-10,15H,8H2,1-7H3,(H,19,21)
InChIKeyCKTVRWWWKPLQMN-UHFFFAOYSA-N
XLogP3.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate
CID 72736950
ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate
CID 134847476
diethyl 2-(2,2-dimethylpropanoylamino)propanedioate
CID 43423034
dimethyl 2-(2,4,6-trimethylphenyl)propanedioate
CID 2786932
methyl 3-(2,4,6-trimethylphenyl)hexanoate
CID 112508703
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
ethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate
CID 176893719
ethyl 2-(2,2-dimethylpropanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 3372562
2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid
CID 63704772
methyl 2-[amino-(2,4,6-trimethylphenyl)methyl]butanoate
CID 116945983
ethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate
CID 95782318
ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate
CID 60787163

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate?
The IUPAC name of ethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate (CID 72737307) is ethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate.
What is the SMILES notation for ethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate?
The canonical SMILES for ethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate is CCOC(=O)C(NC(=O)C(C)(C)C)c1c(C)cc(C)cc1C.
What is the InChIKey of ethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate?
The InChIKey is CKTVRWWWKPLQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-8-22-16(20)15(19-17(21)18(5,6)7)14-12(3)9-11(2)10-13(14)4/h9-10,15H,8H2,1-7H3,(H,19,21).
What are the key properties of ethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate?
ethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate has a molecular weight of 305.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate is sourced from PubChem (CID 72737307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).