3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide

C14H21NO — CID 110755430

IUPAC3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCc1ccccc1CNC(=O)CC(C)(C)C
InChIInChI=1S/C14H21NO/c1-11-7-5-6-8-12(11)10-15-13(16)9-14(2,3)4/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyZXFAOAFBGZMDFA-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.05
Rot. Bonds3

About 3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide

3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide (PubChem CID 110755430) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
PubChem CID110755430
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCc1ccccc1CNC(=O)CC(C)(C)C
InChIInChI=1S/C14H21NO/c1-11-7-5-6-8-12(11)10-15-13(16)9-14(2,3)4/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyZXFAOAFBGZMDFA-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604971
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
1-(3,3-dimethylbutyl)-3-[(2-methylphenyl)methyl]urea
CID 55683695
N'-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945444
2-ethoxy-N-[(2-methylphenyl)methyl]acetamide
CID 60646213
N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
CID 108941562
N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914832
N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 65109576
[2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8772697
(E)-3-methyl-N-[(2-methylphenyl)methyl]-4-sulfanylbut-3-enamide
CID 178170772
(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119688348

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide (CID 110755430) is 3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide is Cc1ccccc1CNC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide?
The InChIKey is ZXFAOAFBGZMDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-7-5-6-8-12(11)10-15-13(16)9-14(2,3)4/h5-8H,9-10H2,1-4H3,(H,15,16).
What are the key properties of 3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide?
3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide has a molecular weight of 219.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 110755430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).