4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide

C14H21N3O2 — CID 63360793

IUPAC4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide
SMILESCN(C)C(=O)c1ccc(N)c(NC2CCOCC2)c1
InChIInChI=1S/C14H21N3O2/c1-17(2)14(18)10-3-4-12(15)13(9-10)16-11-5-7-19-8-6-11/h3-4,9,11,16H,5-8,15H2,1-2H3
InChIKeyVLVCRFLWIFFKHR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.56
Rot. Bonds3

About 4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide

4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide (PubChem CID 63360793) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide
PubChem CID63360793
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide
SMILESCN(C)C(=O)c1ccc(N)c(NC2CCOCC2)c1
InChIInChI=1S/C14H21N3O2/c1-17(2)14(18)10-3-4-12(15)13(9-10)16-11-5-7-19-8-6-11/h3-4,9,11,16H,5-8,15H2,1-2H3
InChIKeyVLVCRFLWIFFKHR-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
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

ethyl 4-amino-3-(oxan-4-ylamino)benzoate
CID 82784831
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 64740893
4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide
CID 63358660
3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide
CID 82989654
4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide
CID 81133978
4-amino-3-(cyclopropylamino)benzamide
CID 63355783
4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 63360878
4-amino-3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylbenzamide
CID 63360796
4-amino-3-(cyclopentylamino)-N-ethylbenzamide
CID 63360547
N,N,4-trimethyl-3-(piperidin-4-ylamino)benzamide
CID 54902739
4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide
CID 113485307
4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide
CID 107411309

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide (CID 63360793) is 4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide is CN(C)C(=O)c1ccc(N)c(NC2CCOCC2)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide?
The InChIKey is VLVCRFLWIFFKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(2)14(18)10-3-4-12(15)13(9-10)16-11-5-7-19-8-6-11/h3-4,9,11,16H,5-8,15H2,1-2H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide?
4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide is sourced from PubChem (CID 63360793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).