N-tert-butyl-2-(2-methylimidazol-1-yl)propanamide

C11H19N3O — CID 55239400

IUPACN-tert-butyl-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H19N3O/c1-8(10(15)13-11(3,4)5)14-7-6-12-9(14)2/h6-8H,1-5H3,(H,13,15)
InChIKeyDEMDJUMVYMAZHE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.67
Rot. Bonds2

About N-tert-butyl-2-(2-methylimidazol-1-yl)propanamide

N-tert-butyl-2-(2-methylimidazol-1-yl)propanamide (PubChem CID 55239400) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methylimidazol-1-yl)propanamide
PubChem CID55239400
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-tert-butyl-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H19N3O/c1-8(10(15)13-11(3,4)5)14-7-6-12-9(14)2/h6-8H,1-5H3,(H,13,15)
InChIKeyDEMDJUMVYMAZHE-UHFFFAOYSA-N
XLogP1.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylimidazol-1-yl)-N-propan-2-ylpropanamide
CID 63810179
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119063062
N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119069534
N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide
CID 16782472
(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide
CID 126438614
2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide
CID 79404599
2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide
CID 64704686
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119058465
N-tert-butyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 51237378
(2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 95226094
N-[[1-(methoxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119071530
2-(2-methylimidazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63811149

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of N-tert-butyl-2-(2-methylimidazol-1-yl)propanamide (CID 55239400) is N-tert-butyl-2-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for N-tert-butyl-2-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for N-tert-butyl-2-(2-methylimidazol-1-yl)propanamide is Cc1nccn1C(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-methylimidazol-1-yl)propanamide?
The InChIKey is DEMDJUMVYMAZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(10(15)13-11(3,4)5)14-7-6-12-9(14)2/h6-8H,1-5H3,(H,13,15).
What are the key properties of N-tert-butyl-2-(2-methylimidazol-1-yl)propanamide?
N-tert-butyl-2-(2-methylimidazol-1-yl)propanamide has a molecular weight of 209.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 55239400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).