N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

C24H29N3O3 — CID 24535483

IUPACN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(C(NC(=O)COc2ccc(C(C)C)c(C)c2)c2nccn2C)cc1
InChIInChI=1S/C24H29N3O3/c1-16(2)21-11-10-20(14-17(21)3)30-15-22(28)26-23(24-25-12-13-27(24)4)18-6-8-19(29-5)9-7-18/h6-14,16,23H,15H2,1-5H3,(H,26,28)
InChIKeyRMUREWCKQZFPGE-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.15
Rot. Bonds8

About N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 24535483) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
PubChem CID24535483
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(C(NC(=O)COc2ccc(C(C)C)c(C)c2)c2nccn2C)cc1
InChIInChI=1S/C24H29N3O3/c1-16(2)21-11-10-20(14-17(21)3)30-15-22(28)26-23(24-25-12-13-27(24)4)18-6-8-19(29-5)9-7-18/h6-14,16,23H,15H2,1-5H3,(H,26,28)
InChIKeyRMUREWCKQZFPGE-UHFFFAOYSA-N
XLogP4.15
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 40952513
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564384
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 46528259
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 51273501
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17465533
4-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-oxobutanamide
CID 134024637
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55521199
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
1-[(2R)-2-hydroxypropyl]-3-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 94027654
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
CID 17488613

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (CID 24535483) is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is COc1ccc(C(NC(=O)COc2ccc(C(C)C)c(C)c2)c2nccn2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The InChIKey is RMUREWCKQZFPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-16(2)21-11-10-20(14-17(21)3)30-15-22(28)26-23(24-25-12-13-27(24)4)18-6-8-19(29-5)9-7-18/h6-14,16,23H,15H2,1-5H3,(H,26,28).
What are the key properties of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 407.51 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 24535483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).