3-acetamido-N-(2-amino-2-oxoethyl)benzamide

C11H13N3O3 — CID 47116875

IUPAC3-acetamido-N-(2-amino-2-oxoethyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCC(N)=O)c1
InChIInChI=1S/C11H13N3O3/c1-7(15)14-9-4-2-3-8(5-9)11(17)13-6-10(12)16/h2-5H,6H2,1H3,(H2,12,16)(H,13,17)(H,14,15)
InChIKeyQWBRZMDZSQUSLN-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.14
Rot. Bonds4

About 3-acetamido-N-(2-amino-2-oxoethyl)benzamide

3-acetamido-N-(2-amino-2-oxoethyl)benzamide (PubChem CID 47116875) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-acetamido-N-(2-amino-2-oxoethyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(2-amino-2-oxoethyl)benzamide
PubChem CID47116875
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-acetamido-N-(2-amino-2-oxoethyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCC(N)=O)c1
InChIInChI=1S/C11H13N3O3/c1-7(15)14-9-4-2-3-8(5-9)11(17)13-6-10(12)16/h2-5H,6H2,1H3,(H2,12,16)(H,13,17)(H,14,15)
InChIKeyQWBRZMDZSQUSLN-UHFFFAOYSA-N
XLogP-0.14
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-ethylbenzamide
CID 17230670
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
CID 119714323
N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide
CID 141029979
N-(2-amino-2-oxoethyl)-3-[3-(2-chlorophenyl)but-2-enoylamino]benzamide
CID 72685132
3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696
3-acetamido-N-prop-2-ynylbenzamide
CID 30601137
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
N-(2-amino-2-oxoethyl)-3-(aminosulfanylmethylamino)benzamide
CID 140989186
3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide
CID 119284430
3-amino-N-(2-amino-2-oxoethyl)benzamide
CID 16775093
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-amino-2-oxoethyl)benzamide?
The IUPAC name of 3-acetamido-N-(2-amino-2-oxoethyl)benzamide (CID 47116875) is 3-acetamido-N-(2-amino-2-oxoethyl)benzamide.
What is the SMILES notation for 3-acetamido-N-(2-amino-2-oxoethyl)benzamide?
The canonical SMILES for 3-acetamido-N-(2-amino-2-oxoethyl)benzamide is CC(=O)Nc1cccc(C(=O)NCC(N)=O)c1.
What is the InChIKey of 3-acetamido-N-(2-amino-2-oxoethyl)benzamide?
The InChIKey is QWBRZMDZSQUSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7(15)14-9-4-2-3-8(5-9)11(17)13-6-10(12)16/h2-5H,6H2,1H3,(H2,12,16)(H,13,17)(H,14,15).
What are the key properties of 3-acetamido-N-(2-amino-2-oxoethyl)benzamide?
3-acetamido-N-(2-amino-2-oxoethyl)benzamide has a molecular weight of 235.24 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-amino-2-oxoethyl)benzamide is sourced from PubChem (CID 47116875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).