(2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide

C14H21ClN2O — CID 124682219

IUPAC(2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide
SMILESCC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H](C)N
InChIInChI=1S/C14H21ClN2O/c1-9(2)13(17(4)14(18)10(3)16)11-7-5-6-8-12(11)15/h5-10,13H,16H2,1-4H3/t10-,13+/m1/s1
InChIKeyATIKFGGYBGUORR-MFKMUULPSA-N
MW268.79 g/mol
LogP2.84
Rot. Bonds4

About (2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide

(2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide (PubChem CID 124682219) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide
PubChem CID124682219
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide
SMILESCC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H](C)N
InChIInChI=1S/C14H21ClN2O/c1-9(2)13(17(4)14(18)10(3)16)11-7-5-6-8-12(11)15/h5-10,13H,16H2,1-4H3/t10-,13+/m1/s1
InChIKeyATIKFGGYBGUORR-MFKMUULPSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide
CID 95335621
(2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide
CID 95335623
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-sulfanylpropanamide
CID 107029047
2-amino-2-(2-chlorophenyl)-N,N-dimethylacetamide
CID 83533893
2-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide
CID 96528879
(2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 104903057
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide
CID 54870533
2-carbamothioyl-N-[1-(2-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 62986265
(2R)-2-amino-N-(9H-fluoren-9-yl)-N-methylpropanamide
CID 99703634
2-amino-N-(9H-fluoren-9-yl)-N-methylpropanamide
CID 86814746
N-[1-(2-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76979752
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 55097238

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide?
The IUPAC name of (2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide (CID 124682219) is (2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide is CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide?
The InChIKey is ATIKFGGYBGUORR-MFKMUULPSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9(2)13(17(4)14(18)10(3)16)11-7-5-6-8-12(11)15/h5-10,13H,16H2,1-4H3/t10-,13+/m1/s1.
What are the key properties of (2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide?
(2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide has a molecular weight of 268.79 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide is sourced from PubChem (CID 124682219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).