2-[2-[bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide

C17H26N2O3 — CID 2601512

IUPAC2-[2-[bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide
SMILESCC(C)CN(CC(C)C)C(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C17H26N2O3/c1-12(2)9-19(10-13(3)4)16(20)11-22-15-8-6-5-7-14(15)17(18)21/h5-8,12-13H,9-11H2,1-4H3,(H2,18,21)
InChIKeyWBQFCYPYJXPOKE-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.30
Rot. Bonds8

About 2-[2-[bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide

2-[2-[bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide (PubChem CID 2601512) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[2-[bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide
PubChem CID2601512
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[2-[bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide
SMILESCC(C)CN(CC(C)C)C(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C17H26N2O3/c1-12(2)9-19(10-13(3)4)16(20)11-22-15-8-6-5-7-14(15)17(18)21/h5-8,12-13H,9-11H2,1-4H3,(H2,18,21)
InChIKeyWBQFCYPYJXPOKE-UHFFFAOYSA-N
XLogP2.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide (CID 2601512) is 2-[2-[bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide is CC(C)CN(CC(C)C)C(=O)COc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-[bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide?
The InChIKey is WBQFCYPYJXPOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)9-19(10-13(3)4)16(20)11-22-15-8-6-5-7-14(15)17(18)21/h5-8,12-13H,9-11H2,1-4H3,(H2,18,21).
What are the key properties of 2-[2-[bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide?
2-[2-[bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide has a molecular weight of 306.41 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 2601512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).