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

C15H24N2O — CID 115154766

IUPAC3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCN(C)C(=O)C(C)(C)CN
InChIInChI=1S/C15H24N2O/c1-12-7-5-6-8-13(12)9-10-17(4)14(18)15(2,3)11-16/h5-8H,9-11,16H2,1-4H3
InChIKeyZFNWEHXYXIXECK-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.98
Rot. Bonds5

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

3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide (PubChem CID 115154766) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
PubChem CID115154766
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCN(C)C(=O)C(C)(C)CN
InChIInChI=1S/C15H24N2O/c1-12-7-5-6-8-13(12)9-10-17(4)14(18)15(2,3)11-16/h5-8H,9-11,16H2,1-4H3
InChIKeyZFNWEHXYXIXECK-UHFFFAOYSA-N
XLogP1.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 119706013
1-methyl-1-[2-(2-methylphenyl)ethyl]urea
CID 115168706
3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79763048
4-[methyl-[2-(2-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 94689747
4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 115157383
N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide
CID 115166755
2-hydroxy-N-[2-(2-methylphenyl)ethyl]-2,2-diphenylacetohydrazide
CID 20976225
3-amino-N-[(5-bromo-2-methylphenyl)methyl]-N,2,2-trimethylpropanamide
CID 115154703
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2,2-trimethylpropanamide
CID 115154760
4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 115157456
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872
3-amino-4-[methyl-[2-(2-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 115181352

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide (CID 115154766) is 3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1CCN(C)C(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide?
The InChIKey is ZFNWEHXYXIXECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-7-5-6-8-13(12)9-10-17(4)14(18)15(2,3)11-16/h5-8H,9-11,16H2,1-4H3.
What are the key properties of 3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide?
3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide has a molecular weight of 248.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 115154766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).