2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide

C15H22N2O4 — CID 107155288

IUPAC2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide
SMILESCC(C)CC(O)CNC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C15H22N2O4/c1-10(2)7-11(18)8-17-14(19)9-21-13-6-4-3-5-12(13)15(16)20/h3-6,10-11,18H,7-9H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyDPPYSVSIASBPHN-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.69
Rot. Bonds8

About 2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide

2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide (PubChem CID 107155288) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide
PubChem CID107155288
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide
SMILESCC(C)CC(O)CNC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C15H22N2O4/c1-10(2)7-11(18)8-17-14(19)9-21-13-6-4-3-5-12(13)15(16)20/h3-6,10-11,18H,7-9H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyDPPYSVSIASBPHN-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-2-(2-methoxyphenoxy)acetamide
CID 103770844
2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 107150626
N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822650
N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103771540
2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide
CID 106164586
N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 103771047
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 43332989
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
2-(2-carbamothioylphenoxy)-N-(3-methylbutyl)acetamide
CID 24698242
2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzamide
CID 8866061
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771579

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide (CID 107155288) is 2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide is CC(C)CC(O)CNC(=O)COc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide?
The InChIKey is DPPYSVSIASBPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)7-11(18)8-17-14(19)9-21-13-6-4-3-5-12(13)15(16)20/h3-6,10-11,18H,7-9H2,1-2H3,(H2,16,20)(H,17,19).
What are the key properties of 2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide?
2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide has a molecular weight of 294.35 g/mol, XLogP of 0.69, 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-4-methylpentyl)amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 107155288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).