N-(5-cyano-2-hydroxyphenyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide

C15H18N2O3 — CID 75391557

IUPACN-(5-cyano-2-hydroxyphenyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide
SMILESCOCCC1(C(=O)Nc2cc(C#N)ccc2O)CCC1
InChIInChI=1S/C15H18N2O3/c1-20-8-7-15(5-2-6-15)14(19)17-12-9-11(10-16)3-4-13(12)18/h3-4,9,18H,2,5-8H2,1H3,(H,17,19)
InChIKeyTXLSILXLVHSTMO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.41
Rot. Bonds5

About N-(5-cyano-2-hydroxyphenyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide

N-(5-cyano-2-hydroxyphenyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide (PubChem CID 75391557) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(5-cyano-2-hydroxyphenyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-hydroxyphenyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide
PubChem CID75391557
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(5-cyano-2-hydroxyphenyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide
SMILESCOCCC1(C(=O)Nc2cc(C#N)ccc2O)CCC1
InChIInChI=1S/C15H18N2O3/c1-20-8-7-15(5-2-6-15)14(19)17-12-9-11(10-16)3-4-13(12)18/h3-4,9,18H,2,5-8H2,1H3,(H,17,19)
InChIKeyTXLSILXLVHSTMO-UHFFFAOYSA-N
XLogP2.41
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-4-pyridinyl)-1-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 86786304
1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide
CID 107808093
1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
CID 104848800
N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide
CID 63129014
3-[4-[(2-chloro-5-cyanobenzoyl)amino]phenyl]-2-[[1-(2-methoxyethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 22660233
N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 78981313
2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide
CID 89084305
N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 105002347
1-(2-methoxyethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]cyclobutane-1-carboxamide
CID 126793039
3-cyano-N-(1-methylcyclobutyl)benzamide
CID 115766115
1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81179376
N-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide
CID 141114717

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-hydroxyphenyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(5-cyano-2-hydroxyphenyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide (CID 75391557) is N-(5-cyano-2-hydroxyphenyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(5-cyano-2-hydroxyphenyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(5-cyano-2-hydroxyphenyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide is COCCC1(C(=O)Nc2cc(C#N)ccc2O)CCC1.
What is the InChIKey of N-(5-cyano-2-hydroxyphenyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
The InChIKey is TXLSILXLVHSTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-8-7-15(5-2-6-15)14(19)17-12-9-11(10-16)3-4-13(12)18/h3-4,9,18H,2,5-8H2,1H3,(H,17,19).
What are the key properties of N-(5-cyano-2-hydroxyphenyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
N-(5-cyano-2-hydroxyphenyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-hydroxyphenyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 75391557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).