N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide

C17H27NO — CID 166510435

IUPACN-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide
SMILESCCC(C)C(=O)N(Cc1ccccc1)C[C@@H](C)CC
InChIInChI=1S/C17H27NO/c1-5-14(3)12-18(17(19)15(4)6-2)13-16-10-8-7-9-11-16/h7-11,14-15H,5-6,12-13H2,1-4H3/t14-,15?/m0/s1
InChIKeyWLSJYSKDBLYHLX-MLCCFXAWSA-N
MW261.41 g/mol
LogP4.11
Rot. Bonds7

About N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide

N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide (PubChem CID 166510435) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide
PubChem CID166510435
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide
SMILESCCC(C)C(=O)N(Cc1ccccc1)C[C@@H](C)CC
InChIInChI=1S/C17H27NO/c1-5-14(3)12-18(17(19)15(4)6-2)13-16-10-8-7-9-11-16/h7-11,14-15H,5-6,12-13H2,1-4H3/t14-,15?/m0/s1
InChIKeyWLSJYSKDBLYHLX-MLCCFXAWSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide 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-ethyl-2-methyl-N-(2-phenylethyl)butanamide
CID 78853488
benzyl(butan-2-yl)carbamic acid
CID 18954164
2-[2-methylbutanoyl(2-phenylethyl)amino]acetic acid
CID 119347264
(2R)-N,N-dibenzyl-5-hydroxy-2-methylpentanamide
CID 155444836
(2S)-3-[benzyl(propanoyl)amino]-2-methylpropanoic acid
CID 95537487
N-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119807971
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
N-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium
CID 91434931
N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120885669
N,N-dibenzyl-N',N'-bis(2-methylpropyl)oxamide
CID 108523671
3-[benzoyl(benzyl)amino]-2-methylpropanoic acid
CID 82324559
N,N-dibenzyl-2-(2-phenylethylamino)butanamide
CID 164667444

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide?
The IUPAC name of N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide (CID 166510435) is N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide.
What is the SMILES notation for N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide?
The canonical SMILES for N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide is CCC(C)C(=O)N(Cc1ccccc1)C[C@@H](C)CC.
What is the InChIKey of N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide?
The InChIKey is WLSJYSKDBLYHLX-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-14(3)12-18(17(19)15(4)6-2)13-16-10-8-7-9-11-16/h7-11,14-15H,5-6,12-13H2,1-4H3/t14-,15?/m0/s1.
What are the key properties of N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide?
N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide has a molecular weight of 261.41 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide is sourced from PubChem (CID 166510435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).