4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide

C15H21N3O2 — CID 76978571

IUPAC4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
SMILESCCc1ccc(C(=O)NC2CCCC2C(N)=NO)cc1
InChIInChI=1S/C15H21N3O2/c1-2-10-6-8-11(9-7-10)15(19)17-13-5-3-4-12(13)14(16)18-20/h6-9,12-13,20H,2-5H2,1H3,(H2,16,18)(H,17,19)
InChIKeyBBZTWEXSIGLWHY-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.89
Rot. Bonds4

About 4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide

4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide (PubChem CID 76978571) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
PubChem CID76978571
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
SMILESCCc1ccc(C(=O)NC2CCCC2C(N)=NO)cc1
InChIInChI=1S/C15H21N3O2/c1-2-10-6-8-11(9-7-10)15(19)17-13-5-3-4-12(13)14(16)18-20/h6-9,12-13,20H,2-5H2,1H3,(H2,16,18)(H,17,19)
InChIKeyBBZTWEXSIGLWHY-UHFFFAOYSA-N
XLogP1.89
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.89
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

4-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978395
3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide
CID 76978373
3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide
CID 76978535
2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978574
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide
CID 76978371
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide
CID 76978483
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide
CID 76978522
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043093
3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide
CID 80642399
2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978437
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide
CID 76978572

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
The IUPAC name of 4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide (CID 76978571) is 4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
The canonical SMILES for 4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide is CCc1ccc(C(=O)NC2CCCC2C(N)=NO)cc1.
What is the InChIKey of 4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
The InChIKey is BBZTWEXSIGLWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-10-6-8-11(9-7-10)15(19)17-13-5-3-4-12(13)14(16)18-20/h6-9,12-13,20H,2-5H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide has a molecular weight of 275.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide is sourced from PubChem (CID 76978571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).