2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]amino]-N,N,2-trimethylpropanamide

C14H19ClN2O3 — CID 75436874

IUPAC2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]amino]-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)NC(=O)[C@H](O)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-14(2,13(20)17(3)4)16-12(19)11(18)9-7-5-6-8-10(9)15/h5-8,11,18H,1-4H3,(H,16,19)/t11-/m1/s1
InChIKeyWGGMHOYSMQFQNT-LLVKDONJSA-N
MW298.77 g/mol
LogP1.36
Rot. Bonds4

About 2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]amino]-N,N,2-trimethylpropanamide

2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]amino]-N,N,2-trimethylpropanamide (PubChem CID 75436874) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]amino]-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]amino]-N,N,2-trimethylpropanamide
PubChem CID75436874
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]amino]-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)NC(=O)[C@H](O)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-14(2,13(20)17(3)4)16-12(19)11(18)9-7-5-6-8-10(9)15/h5-8,11,18H,1-4H3,(H,16,19)/t11-/m1/s1
InChIKeyWGGMHOYSMQFQNT-LLVKDONJSA-N
XLogP1.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-2-hydroxy-N-methylacetamide
CID 23548439
2-[[2-amino-2-(2-chlorophenyl)acetyl]amino]-2-methylpropanamide;hydrochloride
CID 66802085
(2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide
CID 51925554
N-benzyl-2-(2-chlorophenyl)-2-hydroxyacetamide
CID 54257135
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
(2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 6922876
N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]acetamide
CID 8767576
N-tert-butyl-2-[1-(2-chlorophenyl)ethyl-methylamino]acetamide
CID 84831983
sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 141394599
2-amino-2-(2-chlorophenyl)-N,N-dimethylacetamide
CID 83533893
tert-butyl-[(1R,2S)-1-(2-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid
CID 66812753
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide
CID 63681334

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]amino]-N,N,2-trimethylpropanamide?
The IUPAC name of 2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]amino]-N,N,2-trimethylpropanamide (CID 75436874) is 2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]amino]-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]amino]-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]amino]-N,N,2-trimethylpropanamide is CN(C)C(=O)C(C)(C)NC(=O)[C@H](O)c1ccccc1Cl.
What is the InChIKey of 2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]amino]-N,N,2-trimethylpropanamide?
The InChIKey is WGGMHOYSMQFQNT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-14(2,13(20)17(3)4)16-12(19)11(18)9-7-5-6-8-10(9)15/h5-8,11,18H,1-4H3,(H,16,19)/t11-/m1/s1.
What are the key properties of 2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]amino]-N,N,2-trimethylpropanamide?
2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]amino]-N,N,2-trimethylpropanamide has a molecular weight of 298.77 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]amino]-N,N,2-trimethylpropanamide is sourced from PubChem (CID 75436874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).