2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide

C14H21N3O2 — CID 106096520

IUPAC2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide
SMILESCC(C)(CC(N)=O)NC(=O)c1ccccc1CCN
InChIInChI=1S/C14H21N3O2/c1-14(2,9-12(16)18)17-13(19)11-6-4-3-5-10(11)7-8-15/h3-6H,7-9,15H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyKRPATLRZHFAASU-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.57
Rot. Bonds6

About 2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide

2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide (PubChem CID 106096520) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide
PubChem CID106096520
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide
SMILESCC(C)(CC(N)=O)NC(=O)c1ccccc1CCN
InChIInChI=1S/C14H21N3O2/c1-14(2,9-12(16)18)17-13(19)11-6-4-3-5-10(11)7-8-15/h3-6H,7-9,15H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyKRPATLRZHFAASU-UHFFFAOYSA-N
XLogP0.57
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid
CID 79797957
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide
CID 106097445
2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293967
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide
CID 106095391
2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 79106240
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104547692
1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide
CID 106098409
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346
2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65314197
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide
CID 104579469
2-(2-aminoethyl)-N-propylsulfonylbenzamide
CID 103307395
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide
CID 106095375

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide?
The IUPAC name of 2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide (CID 106096520) is 2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide is CC(C)(CC(N)=O)NC(=O)c1ccccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide?
The InChIKey is KRPATLRZHFAASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,9-12(16)18)17-13(19)11-6-4-3-5-10(11)7-8-15/h3-6H,7-9,15H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide?
2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide has a molecular weight of 263.34 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide is sourced from PubChem (CID 106096520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).