N-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide

C18H23N3O2 — CID 96578399

IUPACN-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2ccnc2[C@H]2CCOC(C)(C)C2)cc1
InChIInChI=1S/C18H23N3O2/c1-13(22)20-15-4-6-16(7-5-15)21-10-9-19-17(21)14-8-11-23-18(2,3)12-14/h4-7,9-10,14H,8,11-12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyIKBYJTHAHADEST-AWEZNQCLSA-N
MW313.40 g/mol
LogP3.50
Rot. Bonds3

About N-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide

N-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide (PubChem CID 96578399) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide
PubChem CID96578399
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2ccnc2[C@H]2CCOC(C)(C)C2)cc1
InChIInChI=1S/C18H23N3O2/c1-13(22)20-15-4-6-16(7-5-15)21-10-9-19-17(21)14-8-11-23-18(2,3)12-14/h4-7,9-10,14H,8,11-12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyIKBYJTHAHADEST-AWEZNQCLSA-N
XLogP3.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole
CID 56918232
1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole
CID 56865838
N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]acetamide
CID 128986246
N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine
CID 70749991
N-[3-[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]phenyl]acetamide
CID 56891324
N-(2,2-dimethyloxan-4-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine
CID 47000556
1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea
CID 3688648
6-(2,2-dimethyloxan-4-yl)quinoline-4-carboxylic acid
CID 175960459
N-[4-(4-hydroxypiperidin-1-yl)phenyl]acetamide
CID 57253854
1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine
CID 56870394
N-(4-acetamidophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23916671
1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
CID 157102374

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide (CID 96578399) is N-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(-n2ccnc2[C@H]2CCOC(C)(C)C2)cc1.
What is the InChIKey of N-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide?
The InChIKey is IKBYJTHAHADEST-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(22)20-15-4-6-16(7-5-15)21-10-9-19-17(21)14-8-11-23-18(2,3)12-14/h4-7,9-10,14H,8,11-12H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide?
N-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 96578399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).