N-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide

C16H29N3O2 — CID 126839998

IUPACN-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide
SMILESCCC(NC(=O)C(CC(C)C)n1ccnc1)C(O)C(C)C
InChIInChI=1S/C16H29N3O2/c1-6-13(15(20)12(4)5)18-16(21)14(9-11(2)3)19-8-7-17-10-19/h7-8,10-15,20H,6,9H2,1-5H3,(H,18,21)
InChIKeyQLAMCBHLNHKQQW-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.38
Rot. Bonds8

About N-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide

N-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide (PubChem CID 126839998) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide.

Molecular Properties

Compound NameN-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide
PubChem CID126839998
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide
SMILESCCC(NC(=O)C(CC(C)C)n1ccnc1)C(O)C(C)C
InChIInChI=1S/C16H29N3O2/c1-6-13(15(20)12(4)5)18-16(21)14(9-11(2)3)19-8-7-17-10-19/h7-8,10-15,20H,6,9H2,1-5H3,(H,18,21)
InChIKeyQLAMCBHLNHKQQW-UHFFFAOYSA-N
XLogP2.38
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide?
The IUPAC name of N-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide (CID 126839998) is N-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide.
What is the SMILES notation for N-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide?
The canonical SMILES for N-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide is CCC(NC(=O)C(CC(C)C)n1ccnc1)C(O)C(C)C.
What is the InChIKey of N-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide?
The InChIKey is QLAMCBHLNHKQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-6-13(15(20)12(4)5)18-16(21)14(9-11(2)3)19-8-7-17-10-19/h7-8,10-15,20H,6,9H2,1-5H3,(H,18,21).
What are the key properties of N-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide?
N-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide has a molecular weight of 295.43 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide is sourced from PubChem (CID 126839998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).