2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide

C16H21N3O — CID 110473236

IUPAC2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide
SMILESCC(NC(=O)C(C)(C)c1ccccc1)c1nccn1C
InChIInChI=1S/C16H21N3O/c1-12(14-17-10-11-19(14)4)18-15(20)16(2,3)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,18,20)
InChIKeyDWNRQCWPVZGKQI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.58
Rot. Bonds4

About 2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide

2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide (PubChem CID 110473236) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide
PubChem CID110473236
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide
SMILESCC(NC(=O)C(C)(C)c1ccccc1)c1nccn1C
InChIInChI=1S/C16H21N3O/c1-12(14-17-10-11-19(14)4)18-15(20)16(2,3)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,18,20)
InChIKeyDWNRQCWPVZGKQI-UHFFFAOYSA-N
XLogP2.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
CID 110473331
3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 115426635
2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81392052
2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide
CID 62489274
3-amino-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
CID 110474410
2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide
CID 110444680
N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 110429504
N-(1-aminopropan-2-yl)-2-methyl-2-phenylpropanamide
CID 63731541
3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
CID 110473260
1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea
CID 110473515
2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one
CID 116563836
2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
CID 64991894

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide?
The IUPAC name of 2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide (CID 110473236) is 2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide.
What is the SMILES notation for 2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide?
The canonical SMILES for 2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide is CC(NC(=O)C(C)(C)c1ccccc1)c1nccn1C.
What is the InChIKey of 2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide?
The InChIKey is DWNRQCWPVZGKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(14-17-10-11-19(14)4)18-15(20)16(2,3)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,18,20).
What are the key properties of 2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide?
2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide has a molecular weight of 271.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 110473236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).