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

C14H19N3O2 — CID 43371334

IUPACN-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESN/C(=N\O)c1cccc(C(=O)NCC2CCCC2)c1
InChIInChI=1S/C14H19N3O2/c15-13(17-19)11-6-3-7-12(8-11)14(18)16-9-10-4-1-2-5-10/h3,6-8,10,19H,1-2,4-5,9H2,(H2,15,17)(H,16,18)
InChIKeyDMBNXGIOKPSTAU-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.70
Rot. Bonds4

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

N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide (PubChem CID 43371334) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
PubChem CID43371334
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESN/C(=N\O)c1cccc(C(=O)NCC2CCCC2)c1
InChIInChI=1S/C14H19N3O2/c15-13(17-19)11-6-3-7-12(8-11)14(18)16-9-10-4-1-2-5-10/h3,6-8,10,19H,1-2,4-5,9H2,(H2,15,17)(H,16,18)
InChIKeyDMBNXGIOKPSTAU-UHFFFAOYSA-N
XLogP1.70
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.70
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-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43298902
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
N-(cyclopentylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005094
4-[3-(cyclohexylmethylcarbamoyl)phenyl]-4-oxobutanoic acid
CID 23642199
3-(2-aminoethyl)-N-(cyclobutylmethyl)benzamide
CID 62592961
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-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 60916634
N-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 83018949
3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide
CID 76993606

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The IUPAC name of N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide (CID 43371334) is N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The canonical SMILES for N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide is N/C(=N\O)c1cccc(C(=O)NCC2CCCC2)c1.
What is the InChIKey of N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The InChIKey is DMBNXGIOKPSTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-13(17-19)11-6-3-7-12(8-11)14(18)16-9-10-4-1-2-5-10/h3,6-8,10,19H,1-2,4-5,9H2,(H2,15,17)(H,16,18).
What are the key properties of N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide has a molecular weight of 261.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide is sourced from PubChem (CID 43371334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).