3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide

C14H22N2O — CID 79763048

IUPAC3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)C(C)(C)CN
InChIInChI=1S/C14H22N2O/c1-11-6-4-5-7-12(11)8-9-16-13(17)14(2,3)10-15/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyHWJJYLOCHQCNOP-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.64
Rot. Bonds5

About 3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide

3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide (PubChem CID 79763048) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
PubChem CID79763048
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)C(C)(C)CN
InChIInChI=1S/C14H22N2O/c1-11-6-4-5-7-12(11)8-9-16-13(17)14(2,3)10-15/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyHWJJYLOCHQCNOP-UHFFFAOYSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 46531773
3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79756969
3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115154707
3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115180788
2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 113250799
3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115154766
3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide
CID 81484637
3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide
CID 106113152
N-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide
CID 108899771
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide
CID 86901199
1-[2-(2-methylphenyl)ethyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108899727

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide (CID 79763048) is 3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1CCNC(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide?
The InChIKey is HWJJYLOCHQCNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-6-4-5-7-12(11)8-9-16-13(17)14(2,3)10-15/h4-7H,8-10,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide?
3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide has a molecular weight of 234.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 79763048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).