N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide

C20H25NO — CID 126749944

IUPACN-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C20H25NO/c1-16(18-13-9-6-10-14-18)21(19(22)20(2,3)4)15-17-11-7-5-8-12-17/h5-14,16H,15H2,1-4H3/t16-/m0/s1
InChIKeyRXICLABDVPIVFD-INIZCTEOSA-N
MW295.43 g/mol
LogP4.82
Rot. Bonds4

About N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide

N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 126749944) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
PubChem CID126749944
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C20H25NO/c1-16(18-13-9-6-10-14-18)21(19(22)20(2,3)4)15-17-11-7-5-8-12-17/h5-14,16H,15H2,1-4H3/t16-/m0/s1
InChIKeyRXICLABDVPIVFD-INIZCTEOSA-N
XLogP4.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide 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

N-benzyl-2-phenyl-N-(1-phenylethyl)acetamide
CID 86229489
N-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide
CID 117060748
N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138
2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113162014
N-[[5-[(2-chloroacetyl)amino]-2-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 46111076
N-[[5-[[(2R)-2-chloropropanoyl]amino]-2-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide
CID 93019446
1-phenylethyl(propyl)carbamic acid
CID 57360234
3-chloro-N-[4-(dimethylamino)-3-[[2,2-dimethylpropanoyl-[(1R)-1-phenylethyl]amino]methyl]phenyl]-2,2-dimethylpropanamide
CID 93019428
N-benzyl-N-propan-2-ylacetamide
CID 23534449
benzyl(butan-2-yl)carbamic acid
CID 18954164
2-chloroethyl(1-phenylethyl)carbamic acid
CID 57362032
tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate
CID 177468393

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide (CID 126749944) is N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide is C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)(C)C.
What is the InChIKey of N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is RXICLABDVPIVFD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25NO/c1-16(18-13-9-6-10-14-18)21(19(22)20(2,3)4)15-17-11-7-5-8-12-17/h5-14,16H,15H2,1-4H3/t16-/m0/s1.
What are the key properties of N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide?
N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 295.43 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 126749944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).