N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide

C15H24N2O — CID 115365755

IUPACN-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCC(C)(C)CN)cc1
InChIInChI=1S/C15H24N2O/c1-11(2)12-5-7-13(8-6-12)14(18)17-10-15(3,4)9-16/h5-8,11H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyCMPQFCQBAJDHPA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.52
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide

N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide (PubChem CID 115365755) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
PubChem CID115365755
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCC(C)(C)CN)cc1
InChIInChI=1S/C15H24N2O/c1-11(2)12-5-7-13(8-6-12)14(18)17-10-15(3,4)9-16/h5-8,11H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyCMPQFCQBAJDHPA-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213
N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen
CID 169133122
N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide
CID 103899537
N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide
CID 115271024
N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide
CID 66090894
N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide
CID 64992078
2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid
CID 115429720
N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide
CID 115365610
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732
methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate
CID 103879142
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058
4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111520130

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide (CID 115365755) is N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NCC(C)(C)CN)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide?
The InChIKey is CMPQFCQBAJDHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)12-5-7-13(8-6-12)14(18)17-10-15(3,4)9-16/h5-8,11H,9-10,16H2,1-4H3,(H,17,18).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 115365755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).