(2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide

C13H18N2O2 — CID 15177727

IUPAC(2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide
SMILESCNC(=O)[C@H](C)[C@@H](C(=O)NC)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-9(12(16)14-2)11(13(17)15-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,16)(H,15,17)/t9-,11-/m1/s1
InChIKeyWCGYZNIPSVZVIS-MWLCHTKSSA-N
MW234.30 g/mol
LogP0.90
Rot. Bonds4

About (2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide

(2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide (PubChem CID 15177727) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide.

Molecular Properties

Compound Name(2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide
PubChem CID15177727
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide
SMILESCNC(=O)[C@H](C)[C@@H](C(=O)NC)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-9(12(16)14-2)11(13(17)15-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,16)(H,15,17)/t9-,11-/m1/s1
InChIKeyWCGYZNIPSVZVIS-MWLCHTKSSA-N
XLogP0.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dimethyl-2,3-diphenylbutanediamide
CID 15634660
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076
2-amino-N-methyl-3-phenylbutanamide
CID 70068325
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
N,2,3,4-tetramethyl-5-phenyloctanamide
CID 138525635
(2S)-2-amino-N-methyl-2-phenylacetamide;hydrochloride
CID 68552126
4-[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzoic acid
CID 59462566
2-phenyl-3-sulfanylbutanoic acid
CID 22460484
3-hydroxy-N-methyl-2-phenylpropanamide
CID 13215111
N,3-dimethyl-2-(4-methylphenyl)butanamide
CID 118371719
2-(2,2-diphenylethylamino)-N-methylpropanamide
CID 103603774
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide?
The IUPAC name of (2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide (CID 15177727) is (2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide.
What is the SMILES notation for (2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide?
The canonical SMILES for (2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide is CNC(=O)[C@H](C)[C@@H](C(=O)NC)c1ccccc1.
What is the InChIKey of (2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide?
The InChIKey is WCGYZNIPSVZVIS-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(12(16)14-2)11(13(17)15-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,16)(H,15,17)/t9-,11-/m1/s1.
What are the key properties of (2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide?
(2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide has a molecular weight of 234.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide is sourced from PubChem (CID 15177727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).