N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide

C21H25N3O2 — CID 118779912

IUPACN-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
SMILESCC(C)C(NC(=O)CC1=C(c2ccccc2)CCC1=O)c1nccn1C
InChIInChI=1S/C21H25N3O2/c1-14(2)20(21-22-11-12-24(21)3)23-19(26)13-17-16(9-10-18(17)25)15-7-5-4-6-8-15/h4-8,11-12,14,20H,9-10,13H2,1-3H3,(H,23,26)
InChIKeySXLDRYFQMMHTAX-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.44
Rot. Bonds6

About N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide

N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide (PubChem CID 118779912) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
PubChem CID118779912
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
SMILESCC(C)C(NC(=O)CC1=C(c2ccccc2)CCC1=O)c1nccn1C
InChIInChI=1S/C21H25N3O2/c1-14(2)20(21-22-11-12-24(21)3)23-19(26)13-17-16(9-10-18(17)25)15-7-5-4-6-8-15/h4-8,11-12,14,20H,9-10,13H2,1-3H3,(H,23,26)
InChIKeySXLDRYFQMMHTAX-UHFFFAOYSA-N
XLogP3.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 125164841
2-(2H-indazol-3-yl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118772312
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 125436681
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 122558009
2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118787632
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide
CID 166406040
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95197106
1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
CID 125438467
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 124849944
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 124849945
3-hydroxy-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
CID 125439120
3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
CID 122560977

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide?
The IUPAC name of N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide (CID 118779912) is N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide.
What is the SMILES notation for N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide?
The canonical SMILES for N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide is CC(C)C(NC(=O)CC1=C(c2ccccc2)CCC1=O)c1nccn1C.
What is the InChIKey of N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide?
The InChIKey is SXLDRYFQMMHTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14(2)20(21-22-11-12-24(21)3)23-19(26)13-17-16(9-10-18(17)25)15-7-5-4-6-8-15/h4-8,11-12,14,20H,9-10,13H2,1-3H3,(H,23,26).
What are the key properties of N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide?
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide is sourced from PubChem (CID 118779912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).