N-cyclopentyl-3,4-dihydroxybenzamide

C12H15NO3 — CID 113199189

IUPACN-cyclopentyl-3,4-dihydroxybenzamide
SMILESO=C(NC1CCCC1)c1ccc(O)c(O)c1
InChIInChI=1S/C12H15NO3/c14-10-6-5-8(7-11(10)15)12(16)13-9-3-1-2-4-9/h5-7,9,14-15H,1-4H2,(H,13,16)
InChIKeyVPUINJWKPDGBAE-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.77
Rot. Bonds2

About N-cyclopentyl-3,4-dihydroxybenzamide

N-cyclopentyl-3,4-dihydroxybenzamide (PubChem CID 113199189) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-cyclopentyl-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-cyclopentyl-3,4-dihydroxybenzamide
PubChem CID113199189
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-cyclopentyl-3,4-dihydroxybenzamide
SMILESO=C(NC1CCCC1)c1ccc(O)c(O)c1
InChIInChI=1S/C12H15NO3/c14-10-6-5-8(7-11(10)15)12(16)13-9-3-1-2-4-9/h5-7,9,14-15H,1-4H2,(H,13,16)
InChIKeyVPUINJWKPDGBAE-UHFFFAOYSA-N
XLogP1.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2R)-2-[(3,4-dihydroxybenzoyl)amino]cyclohexyl]-3,4-dihydroxybenzamide
CID 10091534
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
3,4-dihydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107728777
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
N-cyclobutyl-5-hydroxynaphthalene-2-carboxamide
CID 172677591
N-[1-(cyanomethyl)piperidin-4-yl]-3,4-dihydroxybenzamide
CID 103956985
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103956267
N-[3-[[(3,4-dihydroxyphenyl)methylamino]methyl]cyclohexyl]-3,4-dihydroxybenzamide
CID 24750606
N-cyclopentyl-4-sulfanylbenzamide
CID 71194494
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3,4-dihydroxybenzamide?
The IUPAC name of N-cyclopentyl-3,4-dihydroxybenzamide (CID 113199189) is N-cyclopentyl-3,4-dihydroxybenzamide.
What is the SMILES notation for N-cyclopentyl-3,4-dihydroxybenzamide?
The canonical SMILES for N-cyclopentyl-3,4-dihydroxybenzamide is O=C(NC1CCCC1)c1ccc(O)c(O)c1.
What is the InChIKey of N-cyclopentyl-3,4-dihydroxybenzamide?
The InChIKey is VPUINJWKPDGBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-10-6-5-8(7-11(10)15)12(16)13-9-3-1-2-4-9/h5-7,9,14-15H,1-4H2,(H,13,16).
What are the key properties of N-cyclopentyl-3,4-dihydroxybenzamide?
N-cyclopentyl-3,4-dihydroxybenzamide has a molecular weight of 221.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3,4-dihydroxybenzamide is sourced from PubChem (CID 113199189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).