N-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide

C15H25N3O3 — CID 106297299

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)NC1(CO)CCOCC1)n1ccnc1
InChIInChI=1S/C15H25N3O3/c1-2-3-13(18-7-6-16-12-18)10-14(20)17-15(11-19)4-8-21-9-5-15/h6-7,12-13,19H,2-5,8-11H2,1H3,(H,17,20)
InChIKeyBAWJXBBVKBOPAT-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.27
Rot. Bonds7

About N-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide

N-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide (PubChem CID 106297299) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide
PubChem CID106297299
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)NC1(CO)CCOCC1)n1ccnc1
InChIInChI=1S/C15H25N3O3/c1-2-3-13(18-7-6-16-12-18)10-14(20)17-15(11-19)4-8-21-9-5-15/h6-7,12-13,19H,2-5,8-11H2,1H3,(H,17,20)
InChIKeyBAWJXBBVKBOPAT-UHFFFAOYSA-N
XLogP1.27
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide
CID 106102842
2-(3-imidazol-1-ylhexanoylamino)acetic acid
CID 43354558
(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid
CID 107562893
4-(3-imidazol-1-ylhexanoylamino)oxolane-3-carboxylic acid
CID 66223101
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide
CID 114170265
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide
CID 106251098
(2S)-2-(3-imidazol-1-ylhexanoylamino)hexanoic acid
CID 107144043
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide
CID 106179981
2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid
CID 43357509
3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide
CID 115410108
N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
CID 106166604
N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide
CID 64929103

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide (CID 106297299) is N-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide is CCCC(CC(=O)NC1(CO)CCOCC1)n1ccnc1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide?
The InChIKey is BAWJXBBVKBOPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-3-13(18-7-6-16-12-18)10-14(20)17-15(11-19)4-8-21-9-5-15/h6-7,12-13,19H,2-5,8-11H2,1H3,(H,17,20).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide?
N-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide has a molecular weight of 295.38 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide is sourced from PubChem (CID 106297299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).