N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide

C11H22N2O3 — CID 110902978

IUPACN-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCC(O)CNC(=O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-8(14)6-12-10(16)7-13-9(15)5-11(2,3)4/h8,14H,5-7H2,1-4H3,(H,12,16)(H,13,15)
InChIKeyAURBQZZYUVRFNS-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.04
Rot. Bonds5

About N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide

N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 110902978) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide
PubChem CID110902978
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCC(O)CNC(=O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-8(14)6-12-10(16)7-13-9(15)5-11(2,3)4/h8,14H,5-7H2,1-4H3,(H,12,16)(H,13,15)
InChIKeyAURBQZZYUVRFNS-UHFFFAOYSA-N
XLogP0.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-[(2R)-2-hydroxypropyl]acetamide
CID 103884721
2-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]propanoic acid
CID 119225652
N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane
CID 142322932
N-(4-hydroxy-2-methylbutyl)-3,3-dimethylbutanamide
CID 66106193
3,3-dimethyl-N-(2-oxobutyl)butanamide
CID 149102417
N'-hydroxy-N-(2-hydroxypropyl)butanediamide
CID 86244799
N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide
CID 107156617
2-bromo-N-(2-hydroxypropyl)acetamide
CID 63679537
N-[(2S)-2-hydroxypropyl]-3-oxobutanamide
CID 107856858
(2S,3S)-2-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]-3-methylpentanoic acid
CID 119194294
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031754

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide (CID 110902978) is N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide is CC(O)CNC(=O)CNC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide?
The InChIKey is AURBQZZYUVRFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(14)6-12-10(16)7-13-9(15)5-11(2,3)4/h8,14H,5-7H2,1-4H3,(H,12,16)(H,13,15).
What are the key properties of N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide?
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 230.31 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 110902978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).