4-amino-3-(azocan-1-yl)-N-methylbenzamide

C15H23N3O — CID 63356679

IUPAC4-amino-3-(azocan-1-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N2CCCCCCC2)c1
InChIInChI=1S/C15H23N3O/c1-17-15(19)12-7-8-13(16)14(11-12)18-9-5-3-2-4-6-10-18/h7-8,11H,2-6,9-10,16H2,1H3,(H,17,19)
InChIKeyWRRUASIPCZZHLF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.40
Rot. Bonds2

About 4-amino-3-(azocan-1-yl)-N-methylbenzamide

4-amino-3-(azocan-1-yl)-N-methylbenzamide (PubChem CID 63356679) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-amino-3-(azocan-1-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(azocan-1-yl)-N-methylbenzamide
PubChem CID63356679
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-amino-3-(azocan-1-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N2CCCCCCC2)c1
InChIInChI=1S/C15H23N3O/c1-17-15(19)12-7-8-13(16)14(11-12)18-9-5-3-2-4-6-10-18/h7-8,11H,2-6,9-10,16H2,1H3,(H,17,19)
InChIKeyWRRUASIPCZZHLF-UHFFFAOYSA-N
XLogP2.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-3-pyrrolidin-1-ylphenyl)ethanone
CID 165012746
4-amino-3-pyrrolidin-1-ylbenzamide
CID 63355693
1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide
CID 63357045
4-amino-3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methylbenzamide
CID 107452858
4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide
CID 63357388
4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide
CID 63611183
5-amino-2-(azepan-1-yl)-N-methylbenzamide
CID 100651466
3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide
CID 82992166
4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide
CID 63356955
N-(4-amino-3-piperidin-1-ylphenyl)acetamide
CID 69310437
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide
CID 63357224
4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide
CID 64575387

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(azocan-1-yl)-N-methylbenzamide?
The IUPAC name of 4-amino-3-(azocan-1-yl)-N-methylbenzamide (CID 63356679) is 4-amino-3-(azocan-1-yl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(azocan-1-yl)-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(azocan-1-yl)-N-methylbenzamide is CNC(=O)c1ccc(N)c(N2CCCCCCC2)c1.
What is the InChIKey of 4-amino-3-(azocan-1-yl)-N-methylbenzamide?
The InChIKey is WRRUASIPCZZHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17-15(19)12-7-8-13(16)14(11-12)18-9-5-3-2-4-6-10-18/h7-8,11H,2-6,9-10,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-3-(azocan-1-yl)-N-methylbenzamide?
4-amino-3-(azocan-1-yl)-N-methylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(azocan-1-yl)-N-methylbenzamide is sourced from PubChem (CID 63356679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).