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

C15H27N3O2 — CID 109380543

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CCCn1ccnc1
InChIInChI=1S/C15H27N3O2/c1-12(2)14(20)15(3,4)10-17-13(19)6-5-8-18-9-7-16-11-18/h7,9,11-12,14,20H,5-6,8,10H2,1-4H3,(H,17,19)
InChIKeyAYGASOISURUBPV-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.82
Rot. Bonds8

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

N-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide (PubChem CID 109380543) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide
PubChem CID109380543
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CCCn1ccnc1
InChIInChI=1S/C15H27N3O2/c1-12(2)14(20)15(3,4)10-17-13(19)6-5-8-18-9-7-16-11-18/h7,9,11-12,14,20H,5-6,8,10H2,1-4H3,(H,17,19)
InChIKeyAYGASOISURUBPV-UHFFFAOYSA-N
XLogP1.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide
CID 111483635
N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide
CID 111447010
9-imidazol-1-yl-N-methylnonanamide
CID 12803322
3-(3-imidazol-1-ylpropanoylamino)-2,2-dimethylpropanoic acid
CID 115427121
N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide
CID 66171307
N-(4-hydroxypentyl)-3-imidazol-1-ylpropanamide
CID 107299783
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
N-(2-aminopropyl)-3-imidazol-1-ylpropanamide
CID 63733352
5-imidazol-1-yl-2-oxopentanoic acid
CID 174329319
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
2-hydroxy-3-(3-imidazol-1-ylpropylcarbamoylamino)-2-methylpropanoic acid
CID 66172623

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide (CID 109380543) is N-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide is CC(C)C(O)C(C)(C)CNC(=O)CCCn1ccnc1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide?
The InChIKey is AYGASOISURUBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(2)14(20)15(3,4)10-17-13(19)6-5-8-18-9-7-16-11-18/h7,9,11-12,14,20H,5-6,8,10H2,1-4H3,(H,17,19).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide has a molecular weight of 281.40 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide is sourced from PubChem (CID 109380543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).