(2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide

C20H33NO — CID 167585610

IUPAC(2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CCNC(=O)[C@@H](Cc1ccccc1)CC(C)(C)C
InChIInChI=1S/C20H33NO/c1-19(2,3)12-13-21-18(22)17(15-20(4,5)6)14-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3,(H,21,22)/t17-/m0/s1
InChIKeyCTYCTKBBQGAPHF-KRWDZBQOSA-N
MW303.49 g/mol
LogP4.83
Rot. Bonds6

About (2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide

(2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide (PubChem CID 167585610) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is (2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide
PubChem CID167585610
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name(2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CCNC(=O)[C@@H](Cc1ccccc1)CC(C)(C)C
InChIInChI=1S/C20H33NO/c1-19(2,3)12-13-21-18(22)17(15-20(4,5)6)14-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3,(H,21,22)/t17-/m0/s1
InChIKeyCTYCTKBBQGAPHF-KRWDZBQOSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
2-(3,3-dimethylbutylcarbamoylamino)-3-phenylpropanoic acid
CID 61481285
(2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide
CID 68890142
2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide
CID 107472103
2-benzyl-N-[1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]-4,4-dimethylpentanamide
CID 165082503
N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 118460057
N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide
CID 58756722
2-benzyl-3-tert-butylsulfanyl-N-(2-oxopropyl)propanamide
CID 58581908
(4S)-2,2,6,6-tetramethyl-4-[(4-phenylphenyl)methyl]heptan-3-one
CID 163649343
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119311649
4-(3,3-dimethylbutylcarbamoyl)benzoic acid
CID 113227854

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide?
The IUPAC name of (2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide (CID 167585610) is (2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide.
What is the SMILES notation for (2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide?
The canonical SMILES for (2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide is CC(C)(C)CCNC(=O)[C@@H](Cc1ccccc1)CC(C)(C)C.
What is the InChIKey of (2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide?
The InChIKey is CTYCTKBBQGAPHF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H33NO/c1-19(2,3)12-13-21-18(22)17(15-20(4,5)6)14-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide?
(2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide has a molecular weight of 303.49 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 167585610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).