3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide

C18H32N4O — CID 47000347

IUPAC3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide
SMILESCCCN(Cc1nccn1C)C(=O)CCN1CCCCCCC1
InChIInChI=1S/C18H32N4O/c1-3-11-22(16-17-19-10-15-20(17)2)18(23)9-14-21-12-7-5-4-6-8-13-21/h10,15H,3-9,11-14,16H2,1-2H3
InChIKeyVZMKPHFEPLASBA-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.81
Rot. Bonds7

About 3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide

3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide (PubChem CID 47000347) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide.

Molecular Properties

Compound Name3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide
PubChem CID47000347
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide
SMILESCCCN(Cc1nccn1C)C(=O)CCN1CCCCCCC1
InChIInChI=1S/C18H32N4O/c1-3-11-22(16-17-19-10-15-20(17)2)18(23)9-14-21-12-7-5-4-6-8-13-21/h10,15H,3-9,11-14,16H2,1-2H3
InChIKeyVZMKPHFEPLASBA-UHFFFAOYSA-N
XLogP2.81
TPSA41.37 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dipropyl-3-pyrrolidin-1-ylpropanamide
CID 110688187
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 74234797
N,N-diethyl-3-piperidin-1-ylpropanamide
CID 110688324
2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide
CID 72843385
N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide
CID 95727042
1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 157011985
N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide
CID 72902277
N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide
CID 126425206
6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 42596308
(3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95868561
(1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride
CID 155941008
3-[1-(4-ethoxyphenyl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 122564217

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide?
The IUPAC name of 3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide (CID 47000347) is 3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide.
What is the SMILES notation for 3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide?
The canonical SMILES for 3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide is CCCN(Cc1nccn1C)C(=O)CCN1CCCCCCC1.
What is the InChIKey of 3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide?
The InChIKey is VZMKPHFEPLASBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-3-11-22(16-17-19-10-15-20(17)2)18(23)9-14-21-12-7-5-4-6-8-13-21/h10,15H,3-9,11-14,16H2,1-2H3.
What are the key properties of 3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide?
3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide has a molecular weight of 320.48 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide is sourced from PubChem (CID 47000347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).