2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide

C17H23N3O2 — CID 125164841

IUPAC2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
SMILESCOc1cccc(CC(=O)N[C@@H](c2nccn2C)C(C)C)c1
InChIInChI=1S/C17H23N3O2/c1-12(2)16(17-18-8-9-20(17)3)19-15(21)11-13-6-5-7-14(10-13)22-4/h5-10,12,16H,11H2,1-4H3,(H,19,21)/t16-/m1/s1
InChIKeyHBKYXRROCBGVLR-MRXNPFEDSA-N
MW301.39 g/mol
LogP2.48
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide

2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide (PubChem CID 125164841) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
PubChem CID125164841
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
SMILESCOc1cccc(CC(=O)N[C@@H](c2nccn2C)C(C)C)c1
InChIInChI=1S/C17H23N3O2/c1-12(2)16(17-18-8-9-20(17)3)19-15(21)11-13-6-5-7-14(10-13)22-4/h5-10,12,16H,11H2,1-4H3,(H,19,21)/t16-/m1/s1
InChIKeyHBKYXRROCBGVLR-MRXNPFEDSA-N
XLogP2.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 25351466
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
2-(3-methoxyphenyl)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]acetamide
CID 96550306
1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943311
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 47015011
2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 63974321
2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118787632
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 25350189
3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid
CID 82484426
2-(3-hydroxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 86865733
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide
CID 51269162

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide (CID 125164841) is 2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide is COc1cccc(CC(=O)N[C@@H](c2nccn2C)C(C)C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide?
The InChIKey is HBKYXRROCBGVLR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)16(17-18-8-9-20(17)3)19-15(21)11-13-6-5-7-14(10-13)22-4/h5-10,12,16H,11H2,1-4H3,(H,19,21)/t16-/m1/s1.
What are the key properties of 2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide?
2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide has a molecular weight of 301.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 125164841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).