N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide

C15H24N2O — CID 81487529

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)9-15(4,10-16)17-14(18)13-8-6-5-7-12(13)3/h5-8,11H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyGLVXNXYZQIZBAH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.49
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide (PubChem CID 81487529) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
PubChem CID81487529
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)9-15(4,10-16)17-14(18)13-8-6-5-7-12(13)3/h5-8,11H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyGLVXNXYZQIZBAH-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide (CID 81487529) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide is Cc1ccccc1C(=O)NC(C)(CN)CC(C)C.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide?
The InChIKey is GLVXNXYZQIZBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)9-15(4,10-16)17-14(18)13-8-6-5-7-12(13)3/h5-8,11H,9-10,16H2,1-4H3,(H,17,18).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 81487529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).