2,2-dimethyl-N-(3-methylphenyl)butanamide

C13H19NO — CID 669985

IUPAC2,2-dimethyl-N-(3-methylphenyl)butanamide
SMILESCCC(C)(C)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H19NO/c1-5-13(3,4)12(15)14-11-8-6-7-10(2)9-11/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyJCKLWOLAWBIGBB-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.37
Rot. Bonds3

About 2,2-dimethyl-N-(3-methylphenyl)butanamide

2,2-dimethyl-N-(3-methylphenyl)butanamide (PubChem CID 669985) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methylphenyl)butanamide
PubChem CID669985
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2,2-dimethyl-N-(3-methylphenyl)butanamide
SMILESCCC(C)(C)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H19NO/c1-5-13(3,4)12(15)14-11-8-6-7-10(2)9-11/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyJCKLWOLAWBIGBB-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromophenyl)-2,2-dimethylbutanamide
CID 670009
3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride
CID 119670425
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide
CID 55102725
2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide
CID 160938577
methyl 3-(2,2-dimethylbutanoylamino)benzenesulfonate
CID 59464563
2-[3-(2,2-dimethylbutanoylamino)phenoxy]acetic acid
CID 62678206
N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide
CID 82706728
N-(3-methylphenyl)acetamide
CID 10843
2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid
CID 79788912
2-methyl-2-[(3-methylphenyl)carbamoylamino]butanoic acid
CID 79792256
2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide
CID 532100

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methylphenyl)butanamide?
The IUPAC name of 2,2-dimethyl-N-(3-methylphenyl)butanamide (CID 669985) is 2,2-dimethyl-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-methylphenyl)butanamide?
The canonical SMILES for 2,2-dimethyl-N-(3-methylphenyl)butanamide is CCC(C)(C)C(=O)Nc1cccc(C)c1.
What is the InChIKey of 2,2-dimethyl-N-(3-methylphenyl)butanamide?
The InChIKey is JCKLWOLAWBIGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-13(3,4)12(15)14-11-8-6-7-10(2)9-11/h6-9H,5H2,1-4H3,(H,14,15).
What are the key properties of 2,2-dimethyl-N-(3-methylphenyl)butanamide?
2,2-dimethyl-N-(3-methylphenyl)butanamide has a molecular weight of 205.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 669985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).