5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide

C13H19N3O2 — CID 100641777

IUPAC5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide
SMILESCNC(=O)c1cc(N)ccc1NC[C@H]1CCCO1
InChIInChI=1S/C13H19N3O2/c1-15-13(17)11-7-9(14)4-5-12(11)16-8-10-3-2-6-18-10/h4-5,7,10,16H,2-3,6,8,14H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyAYEQFMZYCCVXAB-SNVBAGLBSA-N
MW249.31 g/mol
LogP1.22
Rot. Bonds4

About 5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide

5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide (PubChem CID 100641777) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide
PubChem CID100641777
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide
SMILESCNC(=O)c1cc(N)ccc1NC[C@H]1CCCO1
InChIInChI=1S/C13H19N3O2/c1-15-13(17)11-7-9(14)4-5-12(11)16-8-10-3-2-6-18-10/h4-5,7,10,16H,2-3,6,8,14H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyAYEQFMZYCCVXAB-SNVBAGLBSA-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

5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide
CID 100641884
[5-amino-2-(oxolan-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 133167182
4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide
CID 63356726
5-amino-2-(ethylamino)-N-methylbenzamide
CID 100637917
5-amino-2-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 120624842
5-fluoro-2-(oxolan-2-ylmethylamino)benzoic acid
CID 63673824
3-amino-N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzamide
CID 133164866
4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide
CID 63357269
5-methyl-2-(oxan-2-ylmethylamino)benzoic acid
CID 62516569
5-amino-2-(cyclooctylamino)-N-methylbenzamide
CID 100655350
3-chloro-4-(oxolan-2-ylmethylamino)benzoic acid
CID 63087283
3-amino-4-(oxan-2-ylmethylamino)benzoic acid
CID 55013425

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide?
The IUPAC name of 5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide (CID 100641777) is 5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide.
What is the SMILES notation for 5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide?
The canonical SMILES for 5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide is CNC(=O)c1cc(N)ccc1NC[C@H]1CCCO1.
What is the InChIKey of 5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide?
The InChIKey is AYEQFMZYCCVXAB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-13(17)11-7-9(14)4-5-12(11)16-8-10-3-2-6-18-10/h4-5,7,10,16H,2-3,6,8,14H2,1H3,(H,15,17)/t10-/m1/s1.
What are the key properties of 5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide?
5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]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 5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide is sourced from PubChem (CID 100641777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).