N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide

C14H21NO — CID 42561776

IUPACN-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
SMILESC[C@@H](NC(=O)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H21NO/c1-11(14(2,3)4)15-13(16)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeyOYTAYNCYRSCWOI-LLVKDONJSA-N
MW219.33 g/mol
LogP2.78
Rot. Bonds3

About N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide

N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide (PubChem CID 42561776) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
PubChem CID42561776
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
SMILESC[C@@H](NC(=O)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H21NO/c1-11(14(2,3)4)15-13(16)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeyOYTAYNCYRSCWOI-LLVKDONJSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
CID 42561774
N-(1-methoxy-2-methylpropyl)-2-phenylacetamide
CID 58769252
N-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 104829523
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285
(2R)-2-[(2-phenylacetyl)amino]propanamide
CID 15719286
2-phenyl-N-(2,2,5-trimethyl-4-oxohex-5-en-3-yl)acetamide
CID 145466046
N-(1-cyanoethyl)-2-phenylacetamide
CID 61120840
2-[[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]carbamoyl]benzoic acid
CID 146209918
N-(2-methylpropanethioyl)-2-phenylacetamide
CID 134493410
2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide
CID 117066138
(4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid
CID 69102432
2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide
CID 71459141

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide?
The IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide (CID 42561776) is N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide is C[C@@H](NC(=O)Cc1ccccc1)C(C)(C)C.
What is the InChIKey of N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide?
The InChIKey is OYTAYNCYRSCWOI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(14(2,3)4)15-13(16)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m1/s1.
What are the key properties of N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide?
N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide has a molecular weight of 219.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 42561776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).