4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide

C16H25N3O2 — CID 79792462

IUPAC4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(C)(N)CC)cc1
InChIInChI=1S/C16H25N3O2/c1-5-16(4,17)15(21)18-13-10-8-12(9-11-13)14(20)19(6-2)7-3/h8-11H,5-7,17H2,1-4H3,(H,18,21)
InChIKeyHUOWPBBVTAYGEQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.23
Rot. Bonds6

About 4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide

4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide (PubChem CID 79792462) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
PubChem CID79792462
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(C)(N)CC)cc1
InChIInChI=1S/C16H25N3O2/c1-5-16(4,17)15(21)18-13-10-8-12(9-11-13)14(20)19(6-2)7-3/h8-11H,5-7,17H2,1-4H3,(H,18,21)
InChIKeyHUOWPBBVTAYGEQ-UHFFFAOYSA-N
XLogP2.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chloro-2,2-dimethylpropanoyl)amino]-N,N-diethylbenzamide
CID 63678628
2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79804762
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-diethylbenzamide;hydrochloride
CID 119684182
4-[(2-aminoacetyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119268389
4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684141
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide
CID 79023506
4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride
CID 119268408
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119629402

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide (CID 79792462) is 4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)C(C)(N)CC)cc1.
What is the InChIKey of 4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide?
The InChIKey is HUOWPBBVTAYGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-16(4,17)15(21)18-13-10-8-12(9-11-13)14(20)19(6-2)7-3/h8-11H,5-7,17H2,1-4H3,(H,18,21).
What are the key properties of 4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide?
4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide has a molecular weight of 291.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide is sourced from PubChem (CID 79792462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).