N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide

C12H15NO3 — CID 114344475

IUPACN-(2-cyclopropylethyl)-2,3-dihydroxybenzamide
SMILESO=C(NCCC1CC1)c1cccc(O)c1O
InChIInChI=1S/C12H15NO3/c14-10-3-1-2-9(11(10)15)12(16)13-7-6-8-4-5-8/h1-3,8,14-15H,4-7H2,(H,13,16)
InChIKeyDYCPOHCDKHXJSY-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.63
Rot. Bonds4

About N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide

N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide (PubChem CID 114344475) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-2,3-dihydroxybenzamide
PubChem CID114344475
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(2-cyclopropylethyl)-2,3-dihydroxybenzamide
SMILESO=C(NCCC1CC1)c1cccc(O)c1O
InChIInChI=1S/C12H15NO3/c14-10-3-1-2-9(11(10)15)12(16)13-7-6-8-4-5-8/h1-3,8,14-15H,4-7H2,(H,13,16)
InChIKeyDYCPOHCDKHXJSY-UHFFFAOYSA-N
XLogP1.63
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.63
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-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 106133738
N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603
2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide
CID 114344117
N-(2-cyclopentylethyl)-1-hydroxynaphthalene-2-carboxamide
CID 63524506
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885002
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
N-(2-fluoroethyl)-2,3-dihydroxybenzamide
CID 130478170
2-(2-cyclobutylethylcarbamoyl)benzoic acid
CID 113478591
3-[(2,3-dihydroxybenzoyl)amino]propanoic acid
CID 114343241
N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide
CID 114344418
3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide
CID 115930557
2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide
CID 103855320

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide (CID 114344475) is N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide is O=C(NCCC1CC1)c1cccc(O)c1O.
What is the InChIKey of N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide?
The InChIKey is DYCPOHCDKHXJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-10-3-1-2-9(11(10)15)12(16)13-7-6-8-4-5-8/h1-3,8,14-15H,4-7H2,(H,13,16).
What are the key properties of N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide?
N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide has a molecular weight of 221.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 114344475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).