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

C14H21N3O2 — CID 106097445

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C14H21N3O2/c1-4-16-11-8-6-5-7-10(11)13(19)17-14(2,3)9-12(15)18/h5-8,16H,4,9H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyUCEIRBMJHXBEMS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.50
Rot. Bonds6

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

N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide (PubChem CID 106097445) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide
PubChem CID106097445
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C14H21N3O2/c1-4-16-11-8-6-5-7-10(11)13(19)17-14(2,3)9-12(15)18/h5-8,16H,4,9H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyUCEIRBMJHXBEMS-UHFFFAOYSA-N
XLogP1.50
TPSA84.22 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 ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide
CID 106096520
2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722
2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82724577
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide
CID 106098487
ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate
CID 55177471
methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate
CID 63107958
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 106098462
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide
CID 106098354
1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide
CID 106098409
2-[[2-(ethylamino)benzoyl]amino]benzoic acid
CID 14221255
2-(ethylamino)-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65109341
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-hydrazinylpyridine-3-carboxamide
CID 106098486

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide (CID 106097445) is N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide is CCNc1ccccc1C(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide?
The InChIKey is UCEIRBMJHXBEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-16-11-8-6-5-7-10(11)13(19)17-14(2,3)9-12(15)18/h5-8,16H,4,9H2,1-3H3,(H2,15,18)(H,17,19).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide is sourced from PubChem (CID 106097445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).