N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide

C14H22N2O — CID 115365610

IUPACN-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(C)CN)cc1C
InChIInChI=1S/C14H22N2O/c1-10-5-6-12(7-11(10)2)13(17)16-9-14(3,4)8-15/h5-7H,8-9,15H2,1-4H3,(H,16,17)
InChIKeyLIGFYZPGRBPTEN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.02
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide

N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide (PubChem CID 115365610) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide
PubChem CID115365610
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(C)CN)cc1C
InChIInChI=1S/C14H22N2O/c1-10-5-6-12(7-11(10)2)13(17)16-9-14(3,4)8-15/h5-7H,8-9,15H2,1-4H3,(H,16,17)
InChIKeyLIGFYZPGRBPTEN-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-2,2-dimethylpropyl)-3,4-dimethylbenzamide
CID 115364776
N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide
CID 103899541
N-(2-amino-2-ethylbutyl)-3,4-dimethylbenzamide
CID 81484563
3,4-dimethyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 113090275
N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
CID 115267254
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755
N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide
CID 114818535
N-(3-bromo-2,2-dimethylpropyl)-3-hydroxy-4-methylbenzamide
CID 115364936
N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide
CID 106285997
N-(3-bromo-2,2-dimethylpropyl)-4-hydroxy-3-methylbenzamide
CID 107673135
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3,4-dimethylbenzamide
CID 111481218

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide (CID 115365610) is N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(C)(C)CN)cc1C.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide?
The InChIKey is LIGFYZPGRBPTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-5-6-12(7-11(10)2)13(17)16-9-14(3,4)8-15/h5-7H,8-9,15H2,1-4H3,(H,16,17).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.02, 4 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)-3,4-dimethylbenzamide is sourced from PubChem (CID 115365610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).