N-(2-hydroxy-2-phenylpropyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide

C18H25N3O2 — CID 111825070

IUPACN-(2-hydroxy-2-phenylpropyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1CCC(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-14(2)17-19-10-12-21(17)11-9-16(22)20-13-18(3,23)15-7-5-4-6-8-15/h4-8,10,12,14,23H,9,11,13H2,1-3H3,(H,20,22)
InChIKeyNNSFUZCMWUKMJZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.42
Rot. Bonds7

About N-(2-hydroxy-2-phenylpropyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide

N-(2-hydroxy-2-phenylpropyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 111825070) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID111825070
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1CCC(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-14(2)17-19-10-12-21(17)11-9-16(22)20-13-18(3,23)15-7-5-4-6-8-15/h4-8,10,12,14,23H,9,11,13H2,1-3H3,(H,20,22)
InChIKeyNNSFUZCMWUKMJZ-UHFFFAOYSA-N
XLogP2.42
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Methylimidazol-2-yl)-diphenylmethanol
CID 3113722
Bis(1-methylimidazol-2-yl)-phenylmethanol
CID 2849523
3-(2-Methyl-1-imidazolyl)-1,1-diphenylpropanol
CID 15895912
(1-ethyl-1H-imidazol-2-yl)(diphenyl)methanol
CID 2881653
2-(1-Methylimidazol-2-yl)-1,1-diphenylethanol
CID 771820
2-Hydroxy-1-(1H-imidazol-1-yl)-2,2-diphenylethanone
CID 13062918
1-(1-methyl-1H-imidazol-2-yl)-2-phenyl-2-propanol
CID 304310
1H-imidazol-2-yl(diphenyl)methanol
CID 4295636
(3S*,4S*)-1-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-4-(4-fluorophenyl)piperidin-3-ol
CID 50968634
1-(2-Hydroxy-2-methylpropyl)-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 71974869
2-[4-[[(1-Ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol
CID 72044108
1-[(1-Hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 75377545

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide (CID 111825070) is N-(2-hydroxy-2-phenylpropyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide is CC(C)c1nccn1CCC(=O)NCC(C)(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is NNSFUZCMWUKMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14(2)17-19-10-12-21(17)11-9-16(22)20-13-18(3,23)15-7-5-4-6-8-15/h4-8,10,12,14,23H,9,11,13H2,1-3H3,(H,20,22).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide?
N-(2-hydroxy-2-phenylpropyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 315.42 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 111825070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).