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

C16H25N3O2 — CID 80542029

IUPAC4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(C)CCN)cc1
InChIInChI=1S/C16H25N3O2/c1-4-19(5-2)16(21)13-6-8-14(9-7-13)18-15(20)12(3)10-11-17/h6-9,12H,4-5,10-11,17H2,1-3H3,(H,18,20)
InChIKeyWVLHITQARVWUDL-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.09
Rot. Bonds7

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

4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide (PubChem CID 80542029) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
PubChem CID80542029
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(C)CCN)cc1
InChIInChI=1S/C16H25N3O2/c1-4-19(5-2)16(21)13-6-8-14(9-7-13)18-15(20)12(3)10-11-17/h6-9,12H,4-5,10-11,17H2,1-3H3,(H,18,20)
InChIKeyWVLHITQARVWUDL-UHFFFAOYSA-N
XLogP2.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79203975
N-(4-acetylphenyl)-4-amino-2-methylbutanamide
CID 80543884
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide
CID 79023506
4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride
CID 119268408
propan-2-yl 4-[(4-amino-2-methylbutanoyl)amino]benzoate
CID 80543550
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-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide
CID 9326771
2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride
CID 119955979
4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684154
4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide
CID 8503860

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide (CID 80542029) is 4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)C(C)CCN)cc1.
What is the InChIKey of 4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide?
The InChIKey is WVLHITQARVWUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-19(5-2)16(21)13-6-8-14(9-7-13)18-15(20)12(3)10-11-17/h6-9,12H,4-5,10-11,17H2,1-3H3,(H,18,20).
What are the key properties of 4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide?
4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide has a molecular weight of 291.39 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide is sourced from PubChem (CID 80542029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).