3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide

C14H19N3O3 — CID 76978373

IUPAC3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCC2C(N)=NO)cc1O
InChIInChI=1S/C14H19N3O3/c1-8-5-6-9(7-12(8)18)14(19)16-11-4-2-3-10(11)13(15)17-20/h5-7,10-11,18,20H,2-4H2,1H3,(H2,15,17)(H,16,19)
InChIKeyCSBXNAGSPUOGCX-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.35
Rot. Bonds3

About 3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide

3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide (PubChem CID 76978373) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide
PubChem CID76978373
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCC2C(N)=NO)cc1O
InChIInChI=1S/C14H19N3O3/c1-8-5-6-9(7-12(8)18)14(19)16-11-4-2-3-10(11)13(15)17-20/h5-7,10-11,18,20H,2-4H2,1H3,(H2,15,17)(H,16,19)
InChIKeyCSBXNAGSPUOGCX-UHFFFAOYSA-N
XLogP1.35
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156
3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide
CID 76978535
4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978571
N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide
CID 62962345
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide
CID 76978371
4-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978395
2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64815140
4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978486
cis-(1S,2R)-2-[(3-acetamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 136582322
4-hydroxy-3-methyl-N-(2-methylcyclopentyl)benzamide
CID 113358322
N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 43653129
3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide
CID 81442465

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide (CID 76978373) is 3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCC2C(N)=NO)cc1O.
What is the InChIKey of 3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide?
The InChIKey is CSBXNAGSPUOGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-5-6-9(7-12(8)18)14(19)16-11-4-2-3-10(11)13(15)17-20/h5-7,10-11,18,20H,2-4H2,1H3,(H2,15,17)(H,16,19).
What are the key properties of 3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide?
3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide has a molecular weight of 277.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide is sourced from PubChem (CID 76978373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).