N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide

C14H19NO3 — CID 103891986

IUPACN-butyl-N-cyclopropyl-2,5-dihydroxybenzamide
SMILESCCCCN(C(=O)c1cc(O)ccc1O)C1CC1
InChIInChI=1S/C14H19NO3/c1-2-3-8-15(10-4-5-10)14(18)12-9-11(16)6-7-13(12)17/h6-7,9-10,16-17H,2-5,8H2,1H3
InChIKeyDFMNAXGRXBODCM-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.50
Rot. Bonds5

About N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide

N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide (PubChem CID 103891986) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-2,5-dihydroxybenzamide
PubChem CID103891986
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-butyl-N-cyclopropyl-2,5-dihydroxybenzamide
SMILESCCCCN(C(=O)c1cc(O)ccc1O)C1CC1
InChIInChI=1S/C14H19NO3/c1-2-3-8-15(10-4-5-10)14(18)12-9-11(16)6-7-13(12)17/h6-7,9-10,16-17H,2-5,8H2,1H3
InChIKeyDFMNAXGRXBODCM-UHFFFAOYSA-N
XLogP2.50
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
CID 103887557
N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide
CID 107723158
N-cyclopropyl-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115298911
N-cyclopropyl-2,5-dihydroxy-N-methylbenzamide
CID 107722324
N-(2-chloroethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 63394206
N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide
CID 79116898
5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide
CID 55187434
3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide
CID 113386417
N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide
CID 61350342
2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide
CID 60944357
N-(2-bromoethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 80666154
N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide
CID 102872287

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide?
The IUPAC name of N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide (CID 103891986) is N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide.
What is the SMILES notation for N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide?
The canonical SMILES for N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide is CCCCN(C(=O)c1cc(O)ccc1O)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide?
The InChIKey is DFMNAXGRXBODCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-3-8-15(10-4-5-10)14(18)12-9-11(16)6-7-13(12)17/h6-7,9-10,16-17H,2-5,8H2,1H3.
What are the key properties of N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide?
N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide has a molecular weight of 249.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide is sourced from PubChem (CID 103891986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).