3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide

C11H16N4O — CID 107811857

IUPAC3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide
SMILESCC(C)/N=C(\N)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C11H16N4O/c1-7(2)14-11(13)15-9-5-3-4-8(6-9)10(12)16/h3-7H,1-2H3,(H2,12,16)(H3,13,14,15)
InChIKeyILEATNFJJUKQGO-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.92
Rot. Bonds3

About 3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide

3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide (PubChem CID 107811857) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide.

Molecular Properties

Compound Name3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide
PubChem CID107811857
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide
SMILESCC(C)/N=C(\N)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C11H16N4O/c1-7(2)14-11(13)15-9-5-3-4-8(6-9)10(12)16/h3-7H,1-2H3,(H2,12,16)(H3,13,14,15)
InChIKeyILEATNFJJUKQGO-UHFFFAOYSA-N
XLogP0.92
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[(3-propan-2-ylphenyl)carbamothioylamino]benzamide
CID 53365173
3-(2-aminopropanoylamino)benzamide
CID 61258270
1-[3-(methoxymethyl)phenyl]-2-propan-2-ylguanidine
CID 62379824
3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817579
3-(methylamino)benzamide
CID 18727714
3-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]benzamide
CID 107811886
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide
CID 9325774
ethane;3-(methylamino)benzamide
CID 142071023
3-carbamothioyl-N-(3-carbamoylphenyl)benzamide
CID 107811391
3-[(3-chloro-4-methylphenyl)carbamothioylamino]benzamide
CID 53489414
3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide
CID 114003701

Frequently Asked Questions

What is the IUPAC name of 3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide?
The IUPAC name of 3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide (CID 107811857) is 3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide.
What is the SMILES notation for 3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide?
The canonical SMILES for 3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide is CC(C)/N=C(\N)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide?
The InChIKey is ILEATNFJJUKQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7(2)14-11(13)15-9-5-3-4-8(6-9)10(12)16/h3-7H,1-2H3,(H2,12,16)(H3,13,14,15).
What are the key properties of 3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide?
3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide has a molecular weight of 220.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide is sourced from PubChem (CID 107811857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).