1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide

C14H21N3O2 — CID 119630681

IUPAC1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCN(C)C(=O)c1cccc(C(=O)NCC(C)(C)N)c1
InChIInChI=1S/C14H21N3O2/c1-14(2,15)9-16-12(18)10-6-5-7-11(8-10)13(19)17(3)4/h5-8H,9,15H2,1-4H3,(H,16,18)
InChIKeyFGYHGBQCUDIWJY-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.86
Rot. Bonds4

About 1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide

1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide (PubChem CID 119630681) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
PubChem CID119630681
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCN(C)C(=O)c1cccc(C(=O)NCC(C)(C)N)c1
InChIInChI=1S/C14H21N3O2/c1-14(2,15)9-16-12(18)10-6-5-7-11(8-10)13(19)17(3)4/h5-8H,9,15H2,1-4H3,(H,16,18)
InChIKeyFGYHGBQCUDIWJY-UHFFFAOYSA-N
XLogP0.86
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide
CID 81482947
3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119630742
1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119630029
N-(2-amino-2-methylpropyl)-3-iodobenzamide
CID 81482556
3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide
CID 119504359
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide
CID 70972215
3-carbamothioyl-N-(2,2-dimethylpropyl)benzamide
CID 61167657
3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride
CID 119830617
N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
CID 119626863
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 110008531
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide (CID 119630681) is 1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide is CN(C)C(=O)c1cccc(C(=O)NCC(C)(C)N)c1.
What is the InChIKey of 1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The InChIKey is FGYHGBQCUDIWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,15)9-16-12(18)10-6-5-7-11(8-10)13(19)17(3)4/h5-8H,9,15H2,1-4H3,(H,16,18).
What are the key properties of 1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?
1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 119630681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).