3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide

C18H32N4O — CID 131916605

IUPAC3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide
SMILESCC(C)Cn1cncc1CNC(=O)CCN1CCCCCCC1
InChIInChI=1S/C18H32N4O/c1-16(2)14-22-15-19-12-17(22)13-20-18(23)8-11-21-9-6-4-3-5-7-10-21/h12,15-16H,3-11,13-14H2,1-2H3,(H,20,23)
InChIKeyGTYNOYKDZZHVQK-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.81
Rot. Bonds7

About 3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide

3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide (PubChem CID 131916605) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide
PubChem CID131916605
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide
SMILESCC(C)Cn1cncc1CNC(=O)CCN1CCCCCCC1
InChIInChI=1S/C18H32N4O/c1-16(2)14-22-15-19-12-17(22)13-20-18(23)8-11-21-9-6-4-3-5-7-10-21/h12,15-16H,3-11,13-14H2,1-2H3,(H,20,23)
InChIKeyGTYNOYKDZZHVQK-UHFFFAOYSA-N
XLogP2.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66152169
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91777901
(2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide
CID 29214742
2-[(2R,5S)-5-(methanesulfonamidomethyl)-1-methylpyrrolidin-2-yl]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide
CID 171388058
3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide
CID 46991432
N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 110688182
2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride
CID 154909830
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine
CID 50950663
(2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide
CID 124757765
N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide
CID 122569446
3-hydroxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyridine-4-carboxamide
CID 90649146
1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one
CID 66130168

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide?
The IUPAC name of 3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide (CID 131916605) is 3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide?
The canonical SMILES for 3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide is CC(C)Cn1cncc1CNC(=O)CCN1CCCCCCC1.
What is the InChIKey of 3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide?
The InChIKey is GTYNOYKDZZHVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-16(2)14-22-15-19-12-17(22)13-20-18(23)8-11-21-9-6-4-3-5-7-10-21/h12,15-16H,3-11,13-14H2,1-2H3,(H,20,23).
What are the key properties of 3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide?
3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide has a molecular weight of 320.48 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide is sourced from PubChem (CID 131916605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).