N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide

C13H17N3O2 — CID 43298902

IUPACN-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESN/C(=N\O)c1cccc(C(=O)NCC2CCC2)c1
InChIInChI=1S/C13H17N3O2/c14-12(16-18)10-5-2-6-11(7-10)13(17)15-8-9-3-1-4-9/h2,5-7,9,18H,1,3-4,8H2,(H2,14,16)(H,15,17)
InChIKeyWMDCGXHXFVBUPA-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.31
Rot. Bonds4

About N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide

N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide (PubChem CID 43298902) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
PubChem CID43298902
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESN/C(=N\O)c1cccc(C(=O)NCC2CCC2)c1
InChIInChI=1S/C13H17N3O2/c14-12(16-18)10-5-2-6-11(7-10)13(17)15-8-9-3-1-4-9/h2,5-7,9,18H,1,3-4,8H2,(H2,14,16)(H,15,17)
InChIKeyWMDCGXHXFVBUPA-UHFFFAOYSA-N
XLogP1.31
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43371334
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
3-(2-aminoethyl)-N-(cyclobutylmethyl)benzamide
CID 62592961
N-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 83018949
3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide
CID 76993606
N-(cyclopentylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005094
4-[3-(cyclohexylmethylcarbamoyl)phenyl]-4-oxobutanoic acid
CID 23642199
4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107414832
N-(2-butoxyethyl)-3-(N'-hydroxycarbamimidoyl)benzamide
CID 76928576
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
3-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfanylethyl)benzamide
CID 76996589
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclobutanecarboxamide
CID 76932795

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The IUPAC name of N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide (CID 43298902) is N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide is N/C(=N\O)c1cccc(C(=O)NCC2CCC2)c1.
What is the InChIKey of N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The InChIKey is WMDCGXHXFVBUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-12(16-18)10-5-2-6-11(7-10)13(17)15-8-9-3-1-4-9/h2,5-7,9,18H,1,3-4,8H2,(H2,14,16)(H,15,17).
What are the key properties of N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide has a molecular weight of 247.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide is sourced from PubChem (CID 43298902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).