N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide

C14H22N2O — CID 79652872

IUPACN-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C14H22N2O/c1-11-7-5-6-8-12(11)13(17)16(4)10-14(2,3)9-15/h5-8H,9-10,15H2,1-4H3
InChIKeyVNKLXYSHTIVFKJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.05
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide

N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide (PubChem CID 79652872) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
PubChem CID79652872
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C14H22N2O/c1-11-7-5-6-8-12(11)13(17)16(4)10-14(2,3)9-15/h5-8H,9-10,15H2,1-4H3
InChIKeyVNKLXYSHTIVFKJ-UHFFFAOYSA-N
XLogP2.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N,2,3-trimethylbenzamide
CID 79652302
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780
N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide
CID 79652685
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide
CID 119655514
N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride
CID 119653975
N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide
CID 119656314
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
CID 119653124
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(propylsulfonylamino)benzamide;hydrochloride
CID 119652704
N-(3-amino-2,2-dimethylpropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103807676
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide
CID 119652343
N-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide
CID 119652887

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide (CID 79652872) is N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide is Cc1ccccc1C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide?
The InChIKey is VNKLXYSHTIVFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-7-5-6-8-12(11)13(17)16(4)10-14(2,3)9-15/h5-8H,9-10,15H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 79652872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).