2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide

C14H22N2O — CID 76892662

IUPAC2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
SMILESCc1cccc(NC(=O)C(N)C(C)(C)C)c1C
InChIInChI=1S/C14H22N2O/c1-9-7-6-8-11(10(9)2)16-13(17)12(15)14(3,4)5/h6-8,12H,15H2,1-5H3,(H,16,17)
InChIKeyZOJQWAWPMWSEGD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.62
Rot. Bonds2

About 2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide

2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide (PubChem CID 76892662) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
PubChem CID76892662
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
SMILESCc1cccc(NC(=O)C(N)C(C)(C)C)c1C
InChIInChI=1S/C14H22N2O/c1-9-7-6-8-11(10(9)2)16-13(17)12(15)14(3,4)5/h6-8,12H,15H2,1-5H3,(H,16,17)
InChIKeyZOJQWAWPMWSEGD-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide
CID 103930188
(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670466
2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide
CID 76892391
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylbenzoic acid
CID 61153924
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
2-amino-N-(2,3-dimethylphenyl)-2-phenylacetamide
CID 24694954
(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
CID 61148878
(2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide
CID 103930341
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide
CID 103930147
(2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 61147977
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide
CID 61148588
2-amino-N-(2,4-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892717

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide (CID 76892662) is 2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide is Cc1cccc(NC(=O)C(N)C(C)(C)C)c1C.
What is the InChIKey of 2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide?
The InChIKey is ZOJQWAWPMWSEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9-7-6-8-11(10(9)2)16-13(17)12(15)14(3,4)5/h6-8,12H,15H2,1-5H3,(H,16,17).
What are the key properties of 2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide?
2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 76892662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).