2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide

C14H20N2O5 — CID 103604623

IUPAC2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide
SMILESCCC(CO)(CO)NC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C14H20N2O5/c1-2-14(8-17,9-18)16-12(19)7-21-11-6-4-3-5-10(11)13(15)20/h3-6,17-18H,2,7-9H2,1H3,(H2,15,20)(H,16,19)
InChIKeyRAOXKKQCMJUMDD-UHFFFAOYSA-N
MW296.32 g/mol
LogP-0.59
Rot. Bonds8

About 2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide

2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide (PubChem CID 103604623) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide
PubChem CID103604623
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide
SMILESCCC(CO)(CO)NC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C14H20N2O5/c1-2-14(8-17,9-18)16-12(19)7-21-11-6-4-3-5-10(11)13(15)20/h3-6,17-18H,2,7-9H2,1H3,(H2,15,20)(H,16,19)
InChIKeyRAOXKKQCMJUMDD-UHFFFAOYSA-N
XLogP-0.59
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide
CID 17442321
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)acetamide
CID 65037879
N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-nitrophenoxy)acetamide
CID 62520470
(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 119569079
2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103602624
2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43214922
2-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethoxy]benzamide
CID 9092419
2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide
CID 106289602
2-[2-(cyanoamino)-2-oxoethoxy]benzamide
CID 79194967

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide (CID 103604623) is 2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide is CCC(CO)(CO)NC(=O)COc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide?
The InChIKey is RAOXKKQCMJUMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-2-14(8-17,9-18)16-12(19)7-21-11-6-4-3-5-10(11)13(15)20/h3-6,17-18H,2,7-9H2,1H3,(H2,15,20)(H,16,19).
What are the key properties of 2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide?
2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide has a molecular weight of 296.32 g/mol, XLogP of -0.59, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 103604623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).