3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide

C14H21N3O2 — CID 81490003

IUPAC3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)C(C)(C)CN)c1
InChIInChI=1S/C14H21N3O2/c1-14(2,9-15)13(19)16-11-7-5-6-10(8-11)12(18)17(3)4/h5-8H,9,15H2,1-4H3,(H,16,19)
InChIKeyYBQKERKKFXVSEB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.31
Rot. Bonds4

About 3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide

3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide (PubChem CID 81490003) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide
PubChem CID81490003
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)C(C)(C)CN)c1
InChIInChI=1S/C14H21N3O2/c1-14(2,9-15)13(19)16-11-7-5-6-10(8-11)12(18)17(3)4/h5-8H,9,15H2,1-4H3,(H,16,19)
InChIKeyYBQKERKKFXVSEB-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide
CID 81484636
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide
CID 115431854
3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride
CID 119670425
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide
CID 76887735
3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115452538
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N,N-diethylbenzamide
CID 63680145
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide
CID 134063370
5-[(3-amino-2,2-dimethylpropanoyl)amino]benzene-1,3-dicarboxylic acid
CID 115426556
2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate
CID 79345340
3-[(3-chloro-2,2-dimethylpropanoyl)amino]benzoic acid
CID 63679590
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide
CID 115432410

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide (CID 81490003) is 3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)C(C)(C)CN)c1.
What is the InChIKey of 3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide?
The InChIKey is YBQKERKKFXVSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,9-15)13(19)16-11-7-5-6-10(8-11)12(18)17(3)4/h5-8H,9,15H2,1-4H3,(H,16,19).
What are the key properties of 3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide?
3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 81490003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).