3-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]-N-methylbutanamide

C13H24N4O2 — CID 77085447

IUPAC3-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)CC(C)N(C)Cc1nccn1CCOC
InChIInChI=1S/C13H24N4O2/c1-11(9-13(18)14-2)16(3)10-12-15-5-6-17(12)7-8-19-4/h5-6,11H,7-10H2,1-4H3,(H,14,18)
InChIKeyLACOBYPTAKORRV-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.49
Rot. Bonds8

About 3-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]-N-methylbutanamide

3-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]-N-methylbutanamide (PubChem CID 77085447) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]-N-methylbutanamide
PubChem CID77085447
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)CC(C)N(C)Cc1nccn1CCOC
InChIInChI=1S/C13H24N4O2/c1-11(9-13(18)14-2)16(3)10-12-15-5-6-17(12)7-8-19-4/h5-6,11H,7-10H2,1-4H3,(H,14,18)
InChIKeyLACOBYPTAKORRV-UHFFFAOYSA-N
XLogP0.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 565508
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N-(1-imidazol-1-ylpropan-2-yl)-4-(2-methoxyethyl)-1,4-diazepane-1-carboxamide
CID 53504539
4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide
CID 53515125
[1-Oxo-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-2-yl]urea
CID 56778643
3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
CID 71868069
N-(2-imidazol-1-ylethyl)-3-methylmorpholine-4-carboxamide
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N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide
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CID 137653315
6-[2-[(E)-hydroxyiminomethyl]imidazol-1-yl]-N-(2-methoxyethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide
CID 137660700
Acetamide, N-(3-imidazol-1-ylpropyl)-2-methoxy-
CID 3148030
1-(2-methoxyethyl)-3-(2-(2-methyl-1H-imidazol-1-yl)ethyl)urea
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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]-N-methylbutanamide?
The IUPAC name of 3-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]-N-methylbutanamide (CID 77085447) is 3-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]-N-methylbutanamide.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]-N-methylbutanamide?
The canonical SMILES for 3-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]-N-methylbutanamide is CNC(=O)CC(C)N(C)Cc1nccn1CCOC.
What is the InChIKey of 3-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]-N-methylbutanamide?
The InChIKey is LACOBYPTAKORRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-11(9-13(18)14-2)16(3)10-12-15-5-6-17(12)7-8-19-4/h5-6,11H,7-10H2,1-4H3,(H,14,18).
What are the key properties of 3-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]-N-methylbutanamide?
3-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]-N-methylbutanamide has a molecular weight of 268.36 g/mol, XLogP of 0.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]-N-methylbutanamide is sourced from PubChem (CID 77085447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).