N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide

C15H24N2O — CID 66090894

IUPACN-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide
SMILESCC(CCN)CNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-11(2)13-4-6-14(7-5-13)15(18)17-10-12(3)8-9-16/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18)
InChIKeyAODFUJCQFYOPQT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.52
Rot. Bonds6

About N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide

N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide (PubChem CID 66090894) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide
PubChem CID66090894
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide
SMILESCC(CCN)CNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-11(2)13-4-6-14(7-5-13)15(18)17-10-12(3)8-9-16/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18)
InChIKeyAODFUJCQFYOPQT-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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-(4-amino-2-methylbutyl)-4-hydroxybenzamide
CID 66089978
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755
N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate
CID 103879142
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide
CID 103770174
2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 65219089
4-amino-N-(2-methylbutyl)benzamide
CID 22242294
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide
CID 119526547
N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide
CID 66090676

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide (CID 66090894) is N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide is CC(CCN)CNC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide?
The InChIKey is AODFUJCQFYOPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)13-4-6-14(7-5-13)15(18)17-10-12(3)8-9-16/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18).
What are the key properties of N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide?
N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 66090894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).