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

C11H14N2O2 — CID 47112685

IUPACN-(4-amino-4-oxobutan-2-yl)benzamide
SMILESCC(CC(N)=O)NC(=O)c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-8(7-10(12)14)13-11(15)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyOVOOEUKVSVGHJR-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.68
Rot. Bonds4

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

N-(4-amino-4-oxobutan-2-yl)benzamide (PubChem CID 47112685) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-(4-amino-4-oxobutan-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutan-2-yl)benzamide
PubChem CID47112685
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-(4-amino-4-oxobutan-2-yl)benzamide
SMILESCC(CC(N)=O)NC(=O)c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-8(7-10(12)14)13-11(15)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyOVOOEUKVSVGHJR-UHFFFAOYSA-N
XLogP0.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(4-oxo-4-phenylbutan-2-yl)benzamide
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N-(4-amino-4-oxobutan-2-yl)-4-sulfanylbenzamide
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methyl 3-benzamidobutanoate
CID 10857046
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CID 177440113
2-oxopropyl 3-benzamidobutanoate
CID 46819800
N-(1-chloropropan-2-yl)benzamide
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N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide
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N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide
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(3S)-3-(phenylcarbamoylamino)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutan-2-yl)benzamide?
The IUPAC name of N-(4-amino-4-oxobutan-2-yl)benzamide (CID 47112685) is N-(4-amino-4-oxobutan-2-yl)benzamide.
What is the SMILES notation for N-(4-amino-4-oxobutan-2-yl)benzamide?
The canonical SMILES for N-(4-amino-4-oxobutan-2-yl)benzamide is CC(CC(N)=O)NC(=O)c1ccccc1.
What is the InChIKey of N-(4-amino-4-oxobutan-2-yl)benzamide?
The InChIKey is OVOOEUKVSVGHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(7-10(12)14)13-11(15)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-(4-amino-4-oxobutan-2-yl)benzamide?
N-(4-amino-4-oxobutan-2-yl)benzamide has a molecular weight of 206.25 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutan-2-yl)benzamide is sourced from PubChem (CID 47112685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).