2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide

C16H21N3O3 — CID 91841839

IUPAC2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(C)n2ccnc2)c(OC)c1
InChIInChI=1S/C16H21N3O3/c1-12(19-7-6-17-11-19)10-18-16(20)8-13-4-5-14(21-2)9-15(13)22-3/h4-7,9,11-12H,8,10H2,1-3H3,(H,18,20)
InChIKeyXCBDTIGFEWPGSY-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.82
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide

2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide (PubChem CID 91841839) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide
PubChem CID91841839
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(C)n2ccnc2)c(OC)c1
InChIInChI=1S/C16H21N3O3/c1-12(19-7-6-17-11-19)10-18-16(20)8-13-4-5-14(21-2)9-15(13)22-3/h4-7,9,11-12H,8,10H2,1-3H3,(H,18,20)
InChIKeyXCBDTIGFEWPGSY-UHFFFAOYSA-N
XLogP1.82
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031383
2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65032208
2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid
CID 70309960
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
N-(cyanomethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 96660716
(3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide
CID 92749514
2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 9428047
N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 30597310
N-(2-amino-2-oxoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 9297010
tert-butyl N-(2-imidazol-1-ylpropyl)carbamate
CID 151187469
3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea
CID 125442242
2-(2,4-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485782

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide (CID 91841839) is 2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide is COc1ccc(CC(=O)NCC(C)n2ccnc2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide?
The InChIKey is XCBDTIGFEWPGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12(19-7-6-17-11-19)10-18-16(20)8-13-4-5-14(21-2)9-15(13)22-3/h4-7,9,11-12H,8,10H2,1-3H3,(H,18,20).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide?
2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide has a molecular weight of 303.36 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 91841839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).