N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide

C13H23N3O2 — CID 111483635

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide
SMILESCC(C)C(C)(O)CNC(=O)CCCn1ccnc1
InChIInChI=1S/C13H23N3O2/c1-11(2)13(3,18)9-15-12(17)5-4-7-16-8-6-14-10-16/h6,8,10-11,18H,4-5,7,9H2,1-3H3,(H,15,17)
InChIKeyLEPPHMYFPHUBSO-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.19
Rot. Bonds7

About N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide

N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide (PubChem CID 111483635) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide
PubChem CID111483635
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide
SMILESCC(C)C(C)(O)CNC(=O)CCCn1ccnc1
InChIInChI=1S/C13H23N3O2/c1-11(2)13(3,18)9-15-12(17)5-4-7-16-8-6-14-10-16/h6,8,10-11,18H,4-5,7,9H2,1-3H3,(H,15,17)
InChIKeyLEPPHMYFPHUBSO-UHFFFAOYSA-N
XLogP1.19
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide
CID 109380543
N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide
CID 111447010
N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide
CID 66171307
3-(3-imidazol-1-ylpropanoylamino)-2,2-dimethylpropanoic acid
CID 115427121
1-imidazol-1-yl-2,3-dimethylbutan-2-ol
CID 114447498
9-imidazol-1-yl-N-methylnonanamide
CID 12803322
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
N-(2-aminopropyl)-3-imidazol-1-ylpropanamide
CID 63733352
N-(4-hydroxypentyl)-3-imidazol-1-ylpropanamide
CID 107299783
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide
CID 111484159
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 118764826

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide (CID 111483635) is N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide is CC(C)C(C)(O)CNC(=O)CCCn1ccnc1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide?
The InChIKey is LEPPHMYFPHUBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11(2)13(3,18)9-15-12(17)5-4-7-16-8-6-14-10-16/h6,8,10-11,18H,4-5,7,9H2,1-3H3,(H,15,17).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide?
N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide has a molecular weight of 253.35 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide is sourced from PubChem (CID 111483635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).