N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide

C16H29N3O2 — CID 106251098

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)NCC(CC)(CC)CO)n1ccnc1
InChIInChI=1S/C16H29N3O2/c1-4-7-14(19-9-8-17-13-19)10-15(21)18-11-16(5-2,6-3)12-20/h8-9,13-14,20H,4-7,10-12H2,1-3H3,(H,18,21)
InChIKeyULRKXGBVOARUAA-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.53
Rot. Bonds10

About N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide (PubChem CID 106251098) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide
PubChem CID106251098
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)NCC(CC)(CC)CO)n1ccnc1
InChIInChI=1S/C16H29N3O2/c1-4-7-14(19-9-8-17-13-19)10-15(21)18-11-16(5-2,6-3)12-20/h8-9,13-14,20H,4-7,10-12H2,1-3H3,(H,18,21)
InChIKeyULRKXGBVOARUAA-UHFFFAOYSA-N
XLogP2.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-imidazol-1-ylhexanoylamino)acetic acid
CID 43354558
N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
CID 106166604
ethyl 4-(3-imidazol-1-ylhexanoylamino)butanoate
CID 60706879
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide
CID 106179981
3-imidazol-1-yl-N-propyloctanamide
CID 67900552
(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid
CID 107562893
N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
CID 106352921
(2S)-4-hydroxy-2-(3-imidazol-1-ylhexanoylamino)butanoic acid
CID 107821784
N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide
CID 64929103
3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide
CID 115410108
(2S)-2-(3-imidazol-1-ylhexanoylamino)hexanoic acid
CID 107144043
N-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide
CID 106102842

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide (CID 106251098) is N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide is CCCC(CC(=O)NCC(CC)(CC)CO)n1ccnc1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide?
The InChIKey is ULRKXGBVOARUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-7-14(19-9-8-17-13-19)10-15(21)18-11-16(5-2,6-3)12-20/h8-9,13-14,20H,4-7,10-12H2,1-3H3,(H,18,21).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide has a molecular weight of 295.43 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide is sourced from PubChem (CID 106251098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).