4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide

C13H19N3O2 — CID 63356726

IUPAC4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide
SMILESCNC(=O)c1ccc(N)c(NCC2CCCO2)c1
InChIInChI=1S/C13H19N3O2/c1-15-13(17)9-4-5-11(14)12(7-9)16-8-10-3-2-6-18-10/h4-5,7,10,16H,2-3,6,8,14H2,1H3,(H,15,17)
InChIKeyYYDULBIVIPTSBW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.22
Rot. Bonds4

About 4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide

4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide (PubChem CID 63356726) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide
PubChem CID63356726
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide
SMILESCNC(=O)c1ccc(N)c(NCC2CCCO2)c1
InChIInChI=1S/C13H19N3O2/c1-15-13(17)9-4-5-11(14)12(7-9)16-8-10-3-2-6-18-10/h4-5,7,10,16H,2-3,6,8,14H2,1H3,(H,15,17)
InChIKeyYYDULBIVIPTSBW-UHFFFAOYSA-N
XLogP1.22
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide
CID 63357269
4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide
CID 178171731
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
methyl 4-amino-3-(oxetan-2-ylmethylamino)benzoate
CID 135141200
5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide
CID 100641777
3-amino-N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzamide
CID 133164866
tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate
CID 155090490
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide
CID 63357311
3-amino-4-(oxan-2-ylmethylamino)benzoic acid
CID 55013425
2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 43115525
1-[2-amino-5-(oxolan-2-ylmethylamino)phenyl]ethanone
CID 104612228

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide?
The IUPAC name of 4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide (CID 63356726) is 4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide?
The canonical SMILES for 4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide is CNC(=O)c1ccc(N)c(NCC2CCCO2)c1.
What is the InChIKey of 4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide?
The InChIKey is YYDULBIVIPTSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-13(17)9-4-5-11(14)12(7-9)16-8-10-3-2-6-18-10/h4-5,7,10,16H,2-3,6,8,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide?
4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide is sourced from PubChem (CID 63356726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).