3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide

C17H25N3O2 — CID 8679990

IUPAC3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN2CCCCCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-18-17(22)14-8-7-9-15(12-14)19-16(21)13-20-10-5-3-2-4-6-11-20/h7-9,12H,2-6,10-11,13H2,1H3,(H,18,22)(H,19,21)
InChIKeyMXSDBKTWVYZTJK-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.25
Rot. Bonds4

About 3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide

3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide (PubChem CID 8679990) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
PubChem CID8679990
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN2CCCCCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-18-17(22)14-8-7-9-15(12-14)19-16(21)13-20-10-5-3-2-4-6-11-20/h7-9,12H,2-6,10-11,13H2,1H3,(H,18,22)(H,19,21)
InChIKeyMXSDBKTWVYZTJK-UHFFFAOYSA-N
XLogP2.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54814797
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CID 24691128
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 42890543
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8549513
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide (CID 8679990) is 3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CN2CCCCCCC2)c1.
What is the InChIKey of 3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide?
The InChIKey is MXSDBKTWVYZTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-18-17(22)14-8-7-9-15(12-14)19-16(21)13-20-10-5-3-2-4-6-11-20/h7-9,12H,2-6,10-11,13H2,1H3,(H,18,22)(H,19,21).
What are the key properties of 3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide?
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide has a molecular weight of 303.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 8679990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).