2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide

C16H28N4O — CID 122558206

IUPAC2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide
SMILESCCCn1ccnc1CNC(=O)CN1CCCCCCC1
InChIInChI=1S/C16H28N4O/c1-2-9-20-12-8-17-15(20)13-18-16(21)14-19-10-6-4-3-5-7-11-19/h8,12H,2-7,9-11,13-14H2,1H3,(H,18,21)
InChIKeyNKEWFOPLSBWOGQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.18
Rot. Bonds6

About 2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide

2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide (PubChem CID 122558206) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide
PubChem CID122558206
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide
SMILESCCCn1ccnc1CNC(=O)CN1CCCCCCC1
InChIInChI=1S/C16H28N4O/c1-2-9-20-12-8-17-15(20)13-18-16(21)14-19-10-6-4-3-5-7-11-19/h8,12H,2-7,9-11,13-14H2,1H3,(H,18,21)
InChIKeyNKEWFOPLSBWOGQ-UHFFFAOYSA-N
XLogP2.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(azepan-1-yl)ethyl]-1-methyl-3-[(1-propylimidazol-2-yl)methyl]urea
CID 122560379
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
N-[2-(2-ethylimidazol-1-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 91793772
1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72857945
N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90561773
cis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 91788745
2-methyl-3-morpholin-4-yl-N-[(1-propylimidazol-2-yl)methyl]propanamide
CID 122570107
2-(2-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]acetamide
CID 91768236
(3R)-1-(furan-2-ylmethyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 125437302
2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide
CID 90533937
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533948

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide (CID 122558206) is 2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide is CCCn1ccnc1CNC(=O)CN1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide?
The InChIKey is NKEWFOPLSBWOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-2-9-20-12-8-17-15(20)13-18-16(21)14-19-10-6-4-3-5-7-11-19/h8,12H,2-7,9-11,13-14H2,1H3,(H,18,21).
What are the key properties of 2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide?
2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide has a molecular weight of 292.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 122558206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).