N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide

C14H19NO3 — CID 107728572

IUPACN-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide
SMILESCCN(CC1CCC1)C(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H19NO3/c1-2-15(9-10-4-3-5-10)14(18)11-6-7-12(16)13(17)8-11/h6-8,10,16-17H,2-5,9H2,1H3
InChIKeyARERORSGJNXSHM-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.36
Rot. Bonds4

About N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide

N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide (PubChem CID 107728572) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide
PubChem CID107728572
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide
SMILESCCN(CC1CCC1)C(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H19NO3/c1-2-15(9-10-4-3-5-10)14(18)11-6-7-12(16)13(17)8-11/h6-8,10,16-17H,2-5,9H2,1H3
InChIKeyARERORSGJNXSHM-UHFFFAOYSA-N
XLogP2.36
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
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

4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107397605
N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-hydroxybenzamide
CID 107399082
N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107728841
N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide
CID 107400546
4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63956122
3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63954686
3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63955717
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide
CID 63956728
2-[cyclopentylmethyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
CID 63632491
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
3-chloro-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400421
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 79700663

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide (CID 107728572) is N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide is CCN(CC1CCC1)C(=O)c1ccc(O)c(O)c1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide?
The InChIKey is ARERORSGJNXSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-15(9-10-4-3-5-10)14(18)11-6-7-12(16)13(17)8-11/h6-8,10,16-17H,2-5,9H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide?
N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide has a molecular weight of 249.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide is sourced from PubChem (CID 107728572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).