N-methyl-3-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]butanamide

C11H20N4O — CID 50954861

IUPACN-methyl-3-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]butanamide
SMILESCNC(=O)CC(C)N(C)Cc1nc[nH]c1C
InChIInChI=1S/C11H20N4O/c1-8(5-11(16)12-3)15(4)6-10-9(2)13-7-14-10/h7-8H,5-6H2,1-4H3,(H,12,16)(H,13,14)
InChIKeyIBUUXFGCJKGPRM-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.67
Rot. Bonds5

About N-methyl-3-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]butanamide

N-methyl-3-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]butanamide (PubChem CID 50954861) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-methyl-3-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]butanamide.

Molecular Properties

Compound NameN-methyl-3-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]butanamide
PubChem CID50954861
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-methyl-3-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]butanamide
SMILESCNC(=O)CC(C)N(C)Cc1nc[nH]c1C
InChIInChI=1S/C11H20N4O/c1-8(5-11(16)12-3)15(4)6-10-9(2)13-7-14-10/h7-8H,5-6H2,1-4H3,(H,12,16)(H,13,14)
InChIKeyIBUUXFGCJKGPRM-UHFFFAOYSA-N
XLogP0.67
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]butanamide?
The IUPAC name of N-methyl-3-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]butanamide (CID 50954861) is N-methyl-3-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]butanamide.
What is the SMILES notation for N-methyl-3-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]butanamide?
The canonical SMILES for N-methyl-3-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]butanamide is CNC(=O)CC(C)N(C)Cc1nc[nH]c1C.
What is the InChIKey of N-methyl-3-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]butanamide?
The InChIKey is IBUUXFGCJKGPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(5-11(16)12-3)15(4)6-10-9(2)13-7-14-10/h7-8H,5-6H2,1-4H3,(H,12,16)(H,13,14).
What are the key properties of N-methyl-3-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]butanamide?
N-methyl-3-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]butanamide has a molecular weight of 224.31 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]butanamide is sourced from PubChem (CID 50954861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).