N,N'-dimethyl-2,3-diphenylbutanediamide

C18H20N2O2 — CID 15634660

IUPACN,N'-dimethyl-2,3-diphenylbutanediamide
SMILESCNC(=O)C(c1ccccc1)C(C(=O)NC)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-19-17(21)15(13-9-5-3-6-10-13)16(18(22)20-2)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3,(H,19,21)(H,20,22)
InChIKeyZTKRHMORDHPNEV-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.05
Rot. Bonds5

About N,N'-dimethyl-2,3-diphenylbutanediamide

N,N'-dimethyl-2,3-diphenylbutanediamide (PubChem CID 15634660) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N,N'-dimethyl-2,3-diphenylbutanediamide.

Molecular Properties

Compound NameN,N'-dimethyl-2,3-diphenylbutanediamide
PubChem CID15634660
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN,N'-dimethyl-2,3-diphenylbutanediamide
SMILESCNC(=O)C(c1ccccc1)C(C(=O)NC)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-19-17(21)15(13-9-5-3-6-10-13)16(18(22)20-2)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3,(H,19,21)(H,20,22)
InChIKeyZTKRHMORDHPNEV-UHFFFAOYSA-N
XLogP2.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide
CID 15177727
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076
(2S)-2-amino-N-methyl-2-phenylacetamide;hydrochloride
CID 68552126
3-hydroxy-N-methyl-2-phenylpropanamide
CID 13215111
2-amino-N-methyl-3-phenylbutanamide
CID 70068325
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
(3R)-4-methyl-3-phenylpentan-2-one
CID 7018943
4-[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzoic acid
CID 59462566
2-(2,2-diphenylethylamino)-N-methylpropanamide
CID 103603774
N,3-dimethyl-2-(4-methylphenyl)butanamide
CID 118371719
N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 47075853
methyl 4-(methylamino)-4-oxo-3-phenylbutanoate
CID 10013769

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-2,3-diphenylbutanediamide?
The IUPAC name of N,N'-dimethyl-2,3-diphenylbutanediamide (CID 15634660) is N,N'-dimethyl-2,3-diphenylbutanediamide.
What is the SMILES notation for N,N'-dimethyl-2,3-diphenylbutanediamide?
The canonical SMILES for N,N'-dimethyl-2,3-diphenylbutanediamide is CNC(=O)C(c1ccccc1)C(C(=O)NC)c1ccccc1.
What is the InChIKey of N,N'-dimethyl-2,3-diphenylbutanediamide?
The InChIKey is ZTKRHMORDHPNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-19-17(21)15(13-9-5-3-6-10-13)16(18(22)20-2)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N,N'-dimethyl-2,3-diphenylbutanediamide?
N,N'-dimethyl-2,3-diphenylbutanediamide has a molecular weight of 296.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-2,3-diphenylbutanediamide is sourced from PubChem (CID 15634660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).