2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide

C15H22N2O4 — CID 106289602

IUPAC2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide
SMILESCCCC(C)(O)CNC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C15H22N2O4/c1-3-8-15(2,20)10-17-13(18)9-21-12-7-5-4-6-11(12)14(16)19/h4-7,20H,3,8-10H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyCXGLHWFRBZCQSR-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.83
Rot. Bonds8

About 2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide

2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide (PubChem CID 106289602) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide
PubChem CID106289602
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide
SMILESCCCC(C)(O)CNC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C15H22N2O4/c1-3-8-15(2,20)10-17-13(18)9-21-12-7-5-4-6-11(12)14(16)19/h4-7,20H,3,8-10H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyCXGLHWFRBZCQSR-UHFFFAOYSA-N
XLogP0.83
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethoxy]benzamide
CID 9092419
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide
CID 106164586
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide
CID 103712881
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822579
2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 103604623
2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
CID 90500952
2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787292
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
CID 65113679
2-(2-aminophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103907
2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide
CID 17442321

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide (CID 106289602) is 2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide is CCCC(C)(O)CNC(=O)COc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide?
The InChIKey is CXGLHWFRBZCQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-8-15(2,20)10-17-13(18)9-21-12-7-5-4-6-11(12)14(16)19/h4-7,20H,3,8-10H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide?
2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide has a molecular weight of 294.35 g/mol, XLogP of 0.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 106289602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).