ethyl 2-[benzoyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetate

C23H29NO3 — CID 134847713

IUPACethyl 2-[benzoyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetate
SMILESCCCN(C(=O)c1ccccc1)C(C(=O)OCC)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H29NO3/c1-6-13-24(22(25)19-11-9-8-10-12-19)21(23(26)27-7-2)20-17(4)14-16(3)15-18(20)5/h8-12,14-15,21H,6-7,13H2,1-5H3
InChIKeyYEWDJUCXHRLPAE-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.77
Rot. Bonds7

About ethyl 2-[benzoyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetate

ethyl 2-[benzoyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetate (PubChem CID 134847713) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is ethyl 2-[benzoyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-[benzoyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetate
PubChem CID134847713
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Nameethyl 2-[benzoyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetate
SMILESCCCN(C(=O)c1ccccc1)C(C(=O)OCC)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H29NO3/c1-6-13-24(22(25)19-11-9-8-10-12-19)21(23(26)27-7-2)20-17(4)14-16(3)15-18(20)5/h8-12,14-15,21H,6-7,13H2,1-5H3
InChIKeyYEWDJUCXHRLPAE-UHFFFAOYSA-N
XLogP4.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzoyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetate?
The IUPAC name of ethyl 2-[benzoyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetate (CID 134847713) is ethyl 2-[benzoyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetate.
What is the SMILES notation for ethyl 2-[benzoyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetate?
The canonical SMILES for ethyl 2-[benzoyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetate is CCCN(C(=O)c1ccccc1)C(C(=O)OCC)c1c(C)cc(C)cc1C.
What is the InChIKey of ethyl 2-[benzoyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetate?
The InChIKey is YEWDJUCXHRLPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-6-13-24(22(25)19-11-9-8-10-12-19)21(23(26)27-7-2)20-17(4)14-16(3)15-18(20)5/h8-12,14-15,21H,6-7,13H2,1-5H3.
What are the key properties of ethyl 2-[benzoyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetate?
ethyl 2-[benzoyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetate has a molecular weight of 367.49 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzoyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetate is sourced from PubChem (CID 134847713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).