(2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide

C15H22N2O2 — CID 53364150

IUPAC(2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide
SMILESCC(=O)N[C@@H](C(=O)NCc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H22N2O2/c1-11(18)17-13(15(2,3)4)14(19)16-10-12-8-6-5-7-9-12/h5-9,13H,10H2,1-4H3,(H,16,19)(H,17,18)/t13-/m0/s1
InChIKeyCVHCSGOAOJVCAI-ZDUSSCGKSA-N
MW262.35 g/mol
LogP1.85
Rot. Bonds4

About (2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide

(2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide (PubChem CID 53364150) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide
PubChem CID53364150
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide
SMILESCC(=O)N[C@@H](C(=O)NCc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H22N2O2/c1-11(18)17-13(15(2,3)4)14(19)16-10-12-8-6-5-7-9-12/h5-9,13H,10H2,1-4H3,(H,16,19)(H,17,18)/t13-/m0/s1
InChIKeyCVHCSGOAOJVCAI-ZDUSSCGKSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-benzyl-3,3-dimethyl-2-(phenylcarbamothioylamino)butanamide
CID 102278044
(3R)-3-[[1-(benzylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-5-methylhexanoic acid
CID 10523588
2-acetamido-N-benzyl-2-(hydroxyamino)acetamide
CID 14860703
1-benzyl-3-[1-(2-benzylhydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]urea
CID 72991474
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
CID 45110082
2-acetamido-3,3-dimethyl-N-(oxiran-2-ylmethyl)butanamide;toluene
CID 143881582
(2S,4R)-1-[(2R)-2-acetamido-3,3-dimethylbutanoyl]-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 177375259
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide
CID 54513185

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide (CID 53364150) is (2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide is CC(=O)N[C@@H](C(=O)NCc1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide?
The InChIKey is CVHCSGOAOJVCAI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(18)17-13(15(2,3)4)14(19)16-10-12-8-6-5-7-9-12/h5-9,13H,10H2,1-4H3,(H,16,19)(H,17,18)/t13-/m0/s1.
What are the key properties of (2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide?
(2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide has a molecular weight of 262.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide is sourced from PubChem (CID 53364150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).