3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide

C11H20N4O — CID 64519617

IUPAC3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
SMILESCCNC(C)CC(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C11H20N4O/c1-4-12-9(2)7-11(16)15(3)8-10-13-5-6-14-10/h5-6,9,12H,4,7-8H2,1-3H3,(H,13,14)
InChIKeyJFQBDGRNFOJTFZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.76
Rot. Bonds6

About 3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide

3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide (PubChem CID 64519617) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
PubChem CID64519617
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
SMILESCCNC(C)CC(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C11H20N4O/c1-4-12-9(2)7-11(16)15(3)8-10-13-5-6-14-10/h5-6,9,12H,4,7-8H2,1-3H3,(H,13,14)
InChIKeyJFQBDGRNFOJTFZ-UHFFFAOYSA-N
XLogP0.76
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide
CID 63939448
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide
CID 55122842
3-[(2R)-heptan-2-yl]-1-(1H-imidazol-2-ylmethyl)-1-methylurea
CID 122570121
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 64511881
N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide
CID 63940803
3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide
CID 79859181
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64517492
(2S,3S)-2-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 64518696
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide
CID 64510546

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide?
The IUPAC name of 3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide (CID 64519617) is 3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide.
What is the SMILES notation for 3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide?
The canonical SMILES for 3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide is CCNC(C)CC(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of 3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide?
The InChIKey is JFQBDGRNFOJTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-12-9(2)7-11(16)15(3)8-10-13-5-6-14-10/h5-6,9,12H,4,7-8H2,1-3H3,(H,13,14).
What are the key properties of 3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide?
3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide has a molecular weight of 224.31 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide is sourced from PubChem (CID 64519617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).