N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide

C16H25N3O2 — CID 79203975

IUPACN,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(C)CNC)cc1
InChIInChI=1S/C16H25N3O2/c1-5-19(6-2)16(21)13-7-9-14(10-8-13)18-15(20)12(3)11-17-4/h7-10,12,17H,5-6,11H2,1-4H3,(H,18,20)
InChIKeyKXOBTSVGFVJTTB-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.96
Rot. Bonds7

About N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide

N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide (PubChem CID 79203975) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
PubChem CID79203975
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(C)CNC)cc1
InChIInChI=1S/C16H25N3O2/c1-5-19(6-2)16(21)13-7-9-14(10-8-13)18-15(20)12(3)11-17-4/h7-10,12,17H,5-6,11H2,1-4H3,(H,18,20)
InChIKeyKXOBTSVGFVJTTB-UHFFFAOYSA-N
XLogP1.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 80542029
4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide
CID 79023506
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648
4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide
CID 9326771
N,N-diethyl-4-(2-methylpropylamino)benzamide
CID 102002843
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-diethylbenzamide;hydrochloride
CID 119684182
4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride
CID 119268408
N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide
CID 8503969
N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide
CID 8684090
N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119701452
N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672677

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide (CID 79203975) is N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)C(C)CNC)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
The InChIKey is KXOBTSVGFVJTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-19(6-2)16(21)13-7-9-14(10-8-13)18-15(20)12(3)11-17-4/h7-10,12,17H,5-6,11H2,1-4H3,(H,18,20).
What are the key properties of N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide has a molecular weight of 291.40 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide is sourced from PubChem (CID 79203975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).