N-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane

C105H177N7O7 — CID 167545694

IUPACN-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C(=O)NCc1ccccc1.CC(NC(=O)C(C)(C)C)c1ccccc1.C[C@@H](NC(=O)C(C)(C)C)c1ccccc1.C[C@H](NC(=O)C(C)(C)C)c1ccccc1.[2H]C([2H])([2H])C(NC(=O)C(C)(C)C)c1ccccc1.[2H]C([2H])([2H])[C@@H](NC(=O)C(C)(C)C)c1ccccc1.[2H]C([2H])([2H])[C@H](NC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/6C13H19NO.C12H17NO.7C2H6.CH4/c6*1-10(11-8-6-5-7-9-11)14-12(15)13(2,3)4;1-12(2,3)11(14)13-9-10-7-5-4-6-8-10;7*1-2;/h6*5-10H,1-4H3,(H,14,15);4-8H,9H2,1-3H3,(H,13,14);7*1-2H3;1H4/t4*10-;;;;;;;;;;;/m1100.........../s1/i1D3;;1D3;;1D3;;;;;;;;;;
InChIKeyBTLHHSGBQDGGFP-MRFAMFTQSA-N
MW1658.67 g/mol
LogP27.63
Rot. Bonds17

About N-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane

N-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane (PubChem CID 167545694) has the molecular formula C105H177N7O7 and a molecular weight of 1658.67 g/mol. Its IUPAC name is N-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane.

Molecular Properties

Compound NameN-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane
PubChem CID167545694
Molecular FormulaC105H177N7O7
Molecular Weight1658.67 g/mol
Exact Mass1657.43
IUPAC NameN-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C(=O)NCc1ccccc1.CC(NC(=O)C(C)(C)C)c1ccccc1.C[C@@H](NC(=O)C(C)(C)C)c1ccccc1.C[C@H](NC(=O)C(C)(C)C)c1ccccc1.[2H]C([2H])([2H])C(NC(=O)C(C)(C)C)c1ccccc1.[2H]C([2H])([2H])[C@@H](NC(=O)C(C)(C)C)c1ccccc1.[2H]C([2H])([2H])[C@H](NC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/6C13H19NO.C12H17NO.7C2H6.CH4/c6*1-10(11-8-6-5-7-9-11)14-12(15)13(2,3)4;1-12(2,3)11(14)13-9-10-7-5-4-6-8-10;7*1-2;/h6*5-10H,1-4H3,(H,14,15);4-8H,9H2,1-3H3,(H,13,14);7*1-2H3;1H4/t4*10-;;;;;;;;;;;/m1100.........../s1/i1D3;;1D3;;1D3;;;;;;;;;;
InChIKeyBTLHHSGBQDGGFP-MRFAMFTQSA-N
XLogP27.63
TPSA203.70 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001658.67
LogP ≤ 527.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze N-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide
CID 59684320
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
N-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide
CID 165439850
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide
CID 75503881
3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide
CID 42698521
N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962124
3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 63681272
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane?
The IUPAC name of N-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane (CID 167545694) is N-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane.
What is the SMILES notation for N-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane?
The canonical SMILES for N-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane is C.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C(=O)NCc1ccccc1.CC(NC(=O)C(C)(C)C)c1ccccc1.C[C@@H](NC(=O)C(C)(C)C)c1ccccc1.C[C@H](NC(=O)C(C)(C)C)c1ccccc1.[2H]C([2H])([2H])C(NC(=O)C(C)(C)C)c1ccccc1.[2H]C([2H])([2H])[C@@H](NC(=O)C(C)(C)C)c1ccccc1.[2H]C([2H])([2H])[C@H](NC(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane?
The InChIKey is BTLHHSGBQDGGFP-MRFAMFTQSA-N. The full InChI is InChI=1S/6C13H19NO.C12H17NO.7C2H6.CH4/c6*1-10(11-8-6-5-7-9-11)14-12(15)13(2,3)4;1-12(2,3)11(14)13-9-10-7-5-4-6-8-10;7*1-2;/h6*5-10H,1-4H3,(H,14,15);4-8H,9H2,1-3H3,(H,13,14);7*1-2H3;1H4/t4*10-;;;;;;;;;;;/m1100.........../s1/i1D3;;1D3;;1D3;;;;;;;;;;.
What are the key properties of N-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane?
N-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane has a molecular weight of 1658.67 g/mol, XLogP of 27.63, 17 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane is sourced from PubChem (CID 167545694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).