N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide

C15H24N2O — CID 81485961

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC(C)(CN)C(C)C)c1
InChIInChI=1S/C15H24N2O/c1-10(2)15(5,9-16)17-14(18)13-8-11(3)6-7-12(13)4/h6-8,10H,9,16H2,1-5H3,(H,17,18)
InChIKeyXOPYSWNBRVYCFV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.41
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide (PubChem CID 81485961) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide
PubChem CID81485961
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC(C)(CN)C(C)C)c1
InChIInChI=1S/C15H24N2O/c1-10(2)15(5,9-16)17-14(18)13-8-11(3)6-7-12(13)4/h6-8,10H,9,16H2,1-5H3,(H,17,18)
InChIKeyXOPYSWNBRVYCFV-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82882950
N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzamide;hydrochloride
CID 119523285
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
2-[(2,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79792717
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 81486693
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-hydroxybenzamide
CID 106502689
N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119608616
N-(1-amino-2,3-dimethylbutan-2-yl)-3-methylfuran-2-carboxamide
CID 81485681
N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide
CID 112701453
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide
CID 106688596
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide
CID 113265798
N-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride
CID 119607831

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide (CID 81485961) is N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NC(C)(CN)C(C)C)c1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide?
The InChIKey is XOPYSWNBRVYCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10(2)15(5,9-16)17-14(18)13-8-11(3)6-7-12(13)4/h6-8,10H,9,16H2,1-5H3,(H,17,18).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide is sourced from PubChem (CID 81485961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).