2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide

C23H27N3O2 — CID 55767360

IUPAC2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
SMILESCCCCc1ccc(CC(=O)Nc2ccc(OCc3nccn3C)cc2)cc1
InChIInChI=1S/C23H27N3O2/c1-3-4-5-18-6-8-19(9-7-18)16-23(27)25-20-10-12-21(13-11-20)28-17-22-24-14-15-26(22)2/h6-15H,3-5,16-17H2,1-2H3,(H,25,27)
InChIKeyODSSWGLKHVLELU-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.52
Rot. Bonds9

About 2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide

2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide (PubChem CID 55767360) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
PubChem CID55767360
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
SMILESCCCCc1ccc(CC(=O)Nc2ccc(OCc3nccn3C)cc2)cc1
InChIInChI=1S/C23H27N3O2/c1-3-4-5-18-6-8-19(9-7-18)16-23(27)25-20-10-12-21(13-11-20)28-17-22-24-14-15-26(22)2/h6-15H,3-5,16-17H2,1-2H3,(H,25,27)
InChIKeyODSSWGLKHVLELU-UHFFFAOYSA-N
XLogP4.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 119858982
1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119858947
1-(4-butoxyphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 118784639
2,2-dichloro-1-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide
CID 47045605
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 60521657
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 55881355
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119858993
N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736611
3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride
CID 120503212
1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide
CID 55882122

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide (CID 55767360) is 2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide is CCCCc1ccc(CC(=O)Nc2ccc(OCc3nccn3C)cc2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide?
The InChIKey is ODSSWGLKHVLELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-4-5-18-6-8-19(9-7-18)16-23(27)25-20-10-12-21(13-11-20)28-17-22-24-14-15-26(22)2/h6-15H,3-5,16-17H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide?
2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 55767360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).