3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide

C11H20N4O — CID 115655790

IUPAC3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)NCc1ncc[nH]1
InChIInChI=1S/C11H20N4O/c1-8(2)15-11(16)6-9(3)14-7-10-12-4-5-13-10/h4-5,8-9,14H,6-7H2,1-3H3,(H,12,13)(H,15,16)
InChIKeyJICAXWSLOHOKBL-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.80
Rot. Bonds6

About 3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide

3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide (PubChem CID 115655790) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide
PubChem CID115655790
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)NCc1ncc[nH]1
InChIInChI=1S/C11H20N4O/c1-8(2)15-11(16)6-9(3)14-7-10-12-4-5-13-10/h4-5,8-9,14H,6-7H2,1-3H3,(H,12,13)(H,15,16)
InChIKeyJICAXWSLOHOKBL-UHFFFAOYSA-N
XLogP0.80
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-(1H-imidazol-2-yl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
CID 135965889
N-[(1H-imidazol-2-yl)methyl]acetamide
CID 18670192
(2S)-3,3-Dimethyl-2-(((1-methyl-1H-imidazol-2-yl)methyl)amino)-N-((1R)-1,2,2-trimethylpropyl)butanamide
CID 11851249
Treamid
CID 86567101
N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide
CID 47220680
(2S,4S)-4-[(2,2-dimethylpropanoyl)amino]-N-(1H-imidazol-2-ylmethyl)-1-methylpyrrolidine-2-carboxamide
CID 56718025
[1-Oxo-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-2-yl]urea
CID 56778643
N-butyl-2-[2-[(E)-hydroxyiminomethyl]imidazol-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 137653315
N-(3-imidazolylpropyl)propanamide
CID 4135721
N-ethyl-1H-imidazole-2-carboxamide
CID 12945816
1H-Imidazole-2-acetamide
CID 18474115
3-amino-4-(1H-imidazol-2-yl)butan-2-one
CID 21126130

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide?
The IUPAC name of 3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide (CID 115655790) is 3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide?
The canonical SMILES for 3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide is CC(C)NC(=O)CC(C)NCc1ncc[nH]1.
What is the InChIKey of 3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide?
The InChIKey is JICAXWSLOHOKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)15-11(16)6-9(3)14-7-10-12-4-5-13-10/h4-5,8-9,14H,6-7H2,1-3H3,(H,12,13)(H,15,16).
What are the key properties of 3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide?
3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide has a molecular weight of 224.31 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 115655790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).