3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide

C14H21N3O2 — CID 82989264

IUPAC3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide
SMILESCNC(=O)c1ccc(N(C)C2CCOCC2)c(N)c1
InChIInChI=1S/C14H21N3O2/c1-16-14(18)10-3-4-13(12(15)9-10)17(2)11-5-7-19-8-6-11/h3-4,9,11H,5-8,15H2,1-2H3,(H,16,18)
InChIKeyJLVMAPRIJAHOCV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.24
Rot. Bonds3

About 3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide

3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide (PubChem CID 82989264) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide
PubChem CID82989264
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide
SMILESCNC(=O)c1ccc(N(C)C2CCOCC2)c(N)c1
InChIInChI=1S/C14H21N3O2/c1-16-14(18)10-3-4-13(12(15)9-10)17(2)11-5-7-19-8-6-11/h3-4,9,11H,5-8,15H2,1-2H3,(H,16,18)
InChIKeyJLVMAPRIJAHOCV-UHFFFAOYSA-N
XLogP1.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide
CID 82991708
3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide
CID 102631347
3-amino-4-[cyclopropyl(methyl)amino]benzamide
CID 43448462
3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide
CID 82988974
4-iodo-1-N-methyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 66064700
3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzamide
CID 82989186
3-amino-4-[cyclohexyl(methyl)amino]benzoic acid
CID 54888169
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
CID 82989263
3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide
CID 82991957
3-amino-4-[2-(cyclopropylmethoxy)ethyl-methylamino]-N-methylbenzamide
CID 82999655
3-amino-4-[butyl(methyl)amino]-N-methylbenzamide
CID 82989106
3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide
CID 61094426

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide?
The IUPAC name of 3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide (CID 82989264) is 3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide?
The canonical SMILES for 3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide is CNC(=O)c1ccc(N(C)C2CCOCC2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide?
The InChIKey is JLVMAPRIJAHOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-14(18)10-3-4-13(12(15)9-10)17(2)11-5-7-19-8-6-11/h3-4,9,11H,5-8,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide?
3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide is sourced from PubChem (CID 82989264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).