2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide

C18H23N5O2 — CID 154843659

IUPAC2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide
SMILESCC1CC(N)CN1C(=O)C(=O)NC(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C18H23N5O2/c1-13-9-15(19)10-23(13)18(25)17(24)21-16(11-22-8-7-20-12-22)14-5-3-2-4-6-14/h2-8,12-13,15-16H,9-11,19H2,1H3,(H,21,24)
InChIKeyBTKQFXOHLNARNB-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.69
Rot. Bonds4

About 2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide

2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide (PubChem CID 154843659) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide
PubChem CID154843659
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide
SMILESCC1CC(N)CN1C(=O)C(=O)NC(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C18H23N5O2/c1-13-9-15(19)10-23(13)18(25)17(24)21-16(11-22-8-7-20-12-22)14-5-3-2-4-6-14/h2-8,12-13,15-16H,9-11,19H2,1H3,(H,21,24)
InChIKeyBTKQFXOHLNARNB-UHFFFAOYSA-N
XLogP0.69
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 99946597
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
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1-(4-aminocyclohexyl)-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole-4-carboxamide
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N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide
CID 124845301
N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide
CID 45178755
3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea
CID 126448954
3-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea
CID 126448953
N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide
CID 162635076
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide?
The IUPAC name of 2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide (CID 154843659) is 2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide is CC1CC(N)CN1C(=O)C(=O)NC(Cn1ccnc1)c1ccccc1.
What is the InChIKey of 2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide?
The InChIKey is BTKQFXOHLNARNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-9-15(19)10-23(13)18(25)17(24)21-16(11-22-8-7-20-12-22)14-5-3-2-4-6-14/h2-8,12-13,15-16H,9-11,19H2,1H3,(H,21,24).
What are the key properties of 2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide?
2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide has a molecular weight of 341.41 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide is sourced from PubChem (CID 154843659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).