N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C11H23NO4 — CID 104630084

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCC(CO)(CO)NC(=O)COC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-5-11(7-13,8-14)12-9(15)6-16-10(2,3)4/h13-14H,5-8H2,1-4H3,(H,12,15)
InChIKeyDMBDTDZYPUYWBJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.05
Rot. Bonds6

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 104630084) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID104630084
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCC(CO)(CO)NC(=O)COC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-5-11(7-13,8-14)12-9(15)6-16-10(2,3)4/h13-14H,5-8H2,1-4H3,(H,12,15)
InChIKeyDMBDTDZYPUYWBJ-UHFFFAOYSA-N
XLogP0.05
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604183
N-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604100
tert-butyl N-[3-(hydroxymethyl)pentan-3-yl]carbamate
CID 62517962
N-(1-amino-3-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106164834
[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamic acid
CID 54273301
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide
CID 107866619
2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 19350083
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxy-2-methylpropanamide
CID 107866520
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide
CID 64676838
ethyl 4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-4-oxobutanoate
CID 104630271
6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide
CID 107865762
4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865748

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 104630084) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CCC(CO)(CO)NC(=O)COC(C)(C)C.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is DMBDTDZYPUYWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-5-11(7-13,8-14)12-9(15)6-16-10(2,3)4/h13-14H,5-8H2,1-4H3,(H,12,15).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 233.31 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 104630084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).