5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide

C15H23N3O2 — CID 100641884

IUPAC5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N)ccc1NC[C@H]1CCCO1
InChIInChI=1S/C15H23N3O2/c1-10(2)18-15(19)13-8-11(16)5-6-14(13)17-9-12-4-3-7-20-12/h5-6,8,10,12,17H,3-4,7,9,16H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyMTQUIMKFPNRFOI-GFCCVEGCSA-N
MW277.37 g/mol
LogP2.00
Rot. Bonds5

About 5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide

5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide (PubChem CID 100641884) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide
PubChem CID100641884
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N)ccc1NC[C@H]1CCCO1
InChIInChI=1S/C15H23N3O2/c1-10(2)18-15(19)13-8-11(16)5-6-14(13)17-9-12-4-3-7-20-12/h5-6,8,10,12,17H,3-4,7,9,16H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyMTQUIMKFPNRFOI-GFCCVEGCSA-N
XLogP2.00
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.00
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-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide
CID 100641777
[5-amino-2-(oxolan-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 133167182
3-nitro-4-[[(2S)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide
CID 41013296
5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide
CID 100655389
5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide
CID 100638369
5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid
CID 99986424
5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide
CID 100640503
4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide
CID 63356726
5-amino-2-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 120624842
2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline
CID 82836058
5-fluoro-2-(oxolan-2-ylmethylamino)benzoic acid
CID 63673824
3-amino-N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzamide
CID 133164866

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide (CID 100641884) is 5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(N)ccc1NC[C@H]1CCCO1.
What is the InChIKey of 5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide?
The InChIKey is MTQUIMKFPNRFOI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)18-15(19)13-8-11(16)5-6-14(13)17-9-12-4-3-7-20-12/h5-6,8,10,12,17H,3-4,7,9,16H2,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide?
5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 100641884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).