N-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide

C13H26N2O3 — CID 110898761

IUPACN-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
SMILESCC(C)CC(=O)NC(C(=O)N(C)CCO)C(C)C
InChIInChI=1S/C13H26N2O3/c1-9(2)8-11(17)14-12(10(3)4)13(18)15(5)6-7-16/h9-10,12,16H,6-8H2,1-5H3,(H,14,17)
InChIKeyGEUXUOHWTOXYPA-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.62
Rot. Bonds7

About N-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide

N-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide (PubChem CID 110898761) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
PubChem CID110898761
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
SMILESCC(C)CC(=O)NC(C(=O)N(C)CCO)C(C)C
InChIInChI=1S/C13H26N2O3/c1-9(2)8-11(17)14-12(10(3)4)13(18)15(5)6-7-16/h9-10,12,16H,6-8H2,1-5H3,(H,14,17)
InChIKeyGEUXUOHWTOXYPA-UHFFFAOYSA-N
XLogP0.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 110003474
N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 87023576
N-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide
CID 172719109
N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 55827200
2-acetamido-N-(2-hydroxyethyl)-N-methylpropanamide
CID 60670692
2-amino-N-(2-hydroxyethyl)-N-methylpropanamide
CID 56831806
methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]propanoate
CID 54997524
2-[3-[2-hydroxyethyl(methyl)amino]propanoylamino]-3-methylbutanoic acid
CID 82041809
N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride
CID 120509012
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 55834171
(2S)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethane;molecular hydrogen
CID 169106352
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide?
The IUPAC name of N-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide (CID 110898761) is N-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide is CC(C)CC(=O)NC(C(=O)N(C)CCO)C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide?
The InChIKey is GEUXUOHWTOXYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(2)8-11(17)14-12(10(3)4)13(18)15(5)6-7-16/h9-10,12,16H,6-8H2,1-5H3,(H,14,17).
What are the key properties of N-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide?
N-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide has a molecular weight of 258.36 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide is sourced from PubChem (CID 110898761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).