2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide

C12H18N2O2 — CID 18660310

IUPAC2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1C[C@@H](N)CO
InChIInChI=1S/C12H18N2O2/c1-14(2)12(16)11-6-4-3-5-9(11)7-10(13)8-15/h3-6,10,15H,7-8,13H2,1-2H3/t10-/m1/s1
InChIKeyVIMLJBKZHLOPQY-SNVBAGLBSA-N
MW222.29 g/mol
LogP0.25
Rot. Bonds4

About 2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide

2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide (PubChem CID 18660310) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide
PubChem CID18660310
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1C[C@@H](N)CO
InChIInChI=1S/C12H18N2O2/c1-14(2)12(16)11-6-4-3-5-9(11)7-10(13)8-15/h3-6,10,15H,7-8,13H2,1-2H3/t10-/m1/s1
InChIKeyVIMLJBKZHLOPQY-SNVBAGLBSA-N
XLogP0.25
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-amino-3-hydroxypropyl]benzamide
CID 66587137
2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide
CID 18660323
N,N-dimethyl-2-(2-oxoethyl)benzamide
CID 145181093
2-[(2R)-2-aminobutyl]benzamide
CID 96928036
2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide
CID 60847281
N,N-dimethyl-2-(phenoxymethyl)benzamide
CID 134022314
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
CID 3048994
N,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide
CID 119047666
2-[(2R)-2-aminopropyl]benzoic acid
CID 20581914
2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]phenyl]propan-1-ol
CID 123794472
2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170893543

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide?
The IUPAC name of 2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide (CID 18660310) is 2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1C[C@@H](N)CO.
What is the InChIKey of 2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide?
The InChIKey is VIMLJBKZHLOPQY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14(2)12(16)11-6-4-3-5-9(11)7-10(13)8-15/h3-6,10,15H,7-8,13H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide?
2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 18660310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).