N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide

C14H22N2O — CID 114026640

IUPACN-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide
SMILESCCC(C)(CN)NC(=O)c1c(C)cccc1C
InChIInChI=1S/C14H22N2O/c1-5-14(4,9-15)16-13(17)12-10(2)7-6-8-11(12)3/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeyHZDCPZMNFBKPSQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.16
Rot. Bonds4

About N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide

N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide (PubChem CID 114026640) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide
PubChem CID114026640
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide
SMILESCCC(C)(CN)NC(=O)c1c(C)cccc1C
InChIInChI=1S/C14H22N2O/c1-5-14(4,9-15)16-13(17)12-10(2)7-6-8-11(12)3/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeyHZDCPZMNFBKPSQ-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 64549061
N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide
CID 114345388
2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide
CID 114174059
N-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide
CID 106164208
N-(1-amino-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64549265
N-(1-chloro-3-methylpentan-3-yl)-2,6-dihydroxybenzamide
CID 106168770
N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
CID 64550717
N-(1-amino-2-methylbutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 64548850
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide
CID 64555976
N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide
CID 64551129
2,6-dimethylbenzohydrazide;2,6-dimethylbenzoic acid
CID 161062833
N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide
CID 107690286

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide (CID 114026640) is N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide is CCC(C)(CN)NC(=O)c1c(C)cccc1C.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide?
The InChIKey is HZDCPZMNFBKPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-14(4,9-15)16-13(17)12-10(2)7-6-8-11(12)3/h6-8H,5,9,15H2,1-4H3,(H,16,17).
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide?
N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.16, 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-methylbutan-2-yl)-2,6-dimethylbenzamide is sourced from PubChem (CID 114026640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).