[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate

C15H20ClNO3 — CID 2410770

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate
SMILESCC(C)N(C(=O)COC(=O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C15H20ClNO3/c1-10(2)17(11(3)4)14(18)9-20-15(19)12-7-5-6-8-13(12)16/h5-8,10-11H,9H2,1-4H3
InChIKeyXGJGZKVXUZZFJS-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.14
Rot. Bonds5

About [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate

[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate (PubChem CID 2410770) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate
PubChem CID2410770
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate
SMILESCC(C)N(C(=O)COC(=O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C15H20ClNO3/c1-10(2)17(11(3)4)14(18)9-20-15(19)12-7-5-6-8-13(12)16/h5-8,10-11H,9H2,1-4H3
InChIKeyXGJGZKVXUZZFJS-UHFFFAOYSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate (CID 2410770) is [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate is CC(C)N(C(=O)COC(=O)c1ccccc1Cl)C(C)C.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate?
The InChIKey is XGJGZKVXUZZFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10(2)17(11(3)4)14(18)9-20-15(19)12-7-5-6-8-13(12)16/h5-8,10-11H,9H2,1-4H3.
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate?
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate has a molecular weight of 297.78 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate is sourced from PubChem (CID 2410770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).