2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide

C19H22N4O2 — CID 128988102

IUPAC2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
SMILESCn1ccnc1C(NC(=O)Cc1ccc(C#N)cc1)C1CCOCC1
InChIInChI=1S/C19H22N4O2/c1-23-9-8-21-19(23)18(16-6-10-25-11-7-16)22-17(24)12-14-2-4-15(13-20)5-3-14/h2-5,8-9,16,18H,6-7,10-12H2,1H3,(H,22,24)
InChIKeyOJYXNBIXEMCKBW-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.12
Rot. Bonds5

About 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide

2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide (PubChem CID 128988102) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
PubChem CID128988102
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
SMILESCn1ccnc1C(NC(=O)Cc1ccc(C#N)cc1)C1CCOCC1
InChIInChI=1S/C19H22N4O2/c1-23-9-8-21-19(23)18(16-6-10-25-11-7-16)22-17(24)12-14-2-4-15(13-20)5-3-14/h2-5,8-9,16,18H,6-7,10-12H2,1H3,(H,22,24)
InChIKeyOJYXNBIXEMCKBW-UHFFFAOYSA-N
XLogP2.12
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]benzonitrile
CID 128976489
2-(4-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
CID 128988115
2-methyl-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]propanamide
CID 129487092
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
4-ethyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487085
2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
CID 128988094
5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide
CID 128988052
6-methyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487208
3-(1,3-benzodioxol-5-yl)-N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]propanamide
CID 91781119
2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide
CID 154794496
2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63235692
1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide
CID 154736963

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide (CID 128988102) is 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide is Cn1ccnc1C(NC(=O)Cc1ccc(C#N)cc1)C1CCOCC1.
What is the InChIKey of 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide?
The InChIKey is OJYXNBIXEMCKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-23-9-8-21-19(23)18(16-6-10-25-11-7-16)22-17(24)12-14-2-4-15(13-20)5-3-14/h2-5,8-9,16,18H,6-7,10-12H2,1H3,(H,22,24).
What are the key properties of 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide?
2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide is sourced from PubChem (CID 128988102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).