N-(2-carbamoylphenyl)-N'-propan-2-yloxamide

C12H15N3O3 — CID 108503318

IUPACN-(2-carbamoylphenyl)-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C12H15N3O3/c1-7(2)14-11(17)12(18)15-9-6-4-3-5-8(9)10(13)16/h3-7H,1-2H3,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyIIRWGJIMCNUMFY-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.25
Rot. Bonds3

About N-(2-carbamoylphenyl)-N'-propan-2-yloxamide

N-(2-carbamoylphenyl)-N'-propan-2-yloxamide (PubChem CID 108503318) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-N'-propan-2-yloxamide
PubChem CID108503318
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-(2-carbamoylphenyl)-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C12H15N3O3/c1-7(2)14-11(17)12(18)15-9-6-4-3-5-8(9)10(13)16/h3-7H,1-2H3,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyIIRWGJIMCNUMFY-UHFFFAOYSA-N
XLogP0.25
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyphenyl)-N'-propan-2-yloxamide
CID 108503255
N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide
CID 108509141
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
2-(2-bromopropanoylamino)benzamide
CID 14588064
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
methyl 3-(2-carbamoylanilino)-3-oxopropanoate
CID 25049818
N-(2-carbamoylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512277
N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510820
methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
CID 28638001
2-(4-aminopentanoylamino)benzamide;hydrochloride
CID 120558709
2-(2-ethylbutanoylamino)benzamide
CID 1214109
N-(2-carbamoylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 48528626

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-N'-propan-2-yloxamide?
The IUPAC name of N-(2-carbamoylphenyl)-N'-propan-2-yloxamide (CID 108503318) is N-(2-carbamoylphenyl)-N'-propan-2-yloxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-N'-propan-2-yloxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of N-(2-carbamoylphenyl)-N'-propan-2-yloxamide?
The InChIKey is IIRWGJIMCNUMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7(2)14-11(17)12(18)15-9-6-4-3-5-8(9)10(13)16/h3-7H,1-2H3,(H2,13,16)(H,14,17)(H,15,18).
What are the key properties of N-(2-carbamoylphenyl)-N'-propan-2-yloxamide?
N-(2-carbamoylphenyl)-N'-propan-2-yloxamide has a molecular weight of 249.27 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-N'-propan-2-yloxamide is sourced from PubChem (CID 108503318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).