N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide

C14H18N2O3 — CID 112998571

IUPACN-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide
SMILESCOc1ccccc1NC(=O)CNC(=O)C1CCC1
InChIInChI=1S/C14H18N2O3/c1-19-12-8-3-2-7-11(12)16-13(17)9-15-14(18)10-5-4-6-10/h2-3,7-8,10H,4-6,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyAIYQGYXPXQTVSD-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.55
Rot. Bonds5

About N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide

N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide (PubChem CID 112998571) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide
PubChem CID112998571
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide
SMILESCOc1ccccc1NC(=O)CNC(=O)C1CCC1
InChIInChI=1S/C14H18N2O3/c1-19-12-8-3-2-7-11(12)16-13(17)9-15-14(18)10-5-4-6-10/h2-3,7-8,10H,4-6,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyAIYQGYXPXQTVSD-UHFFFAOYSA-N
XLogP1.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687182
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide
CID 112998973
N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997775
N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997525
N-[2-oxo-2-(2-phenoxyanilino)ethyl]cyclopropanecarboxamide
CID 42697207
[2-(2-methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2364845
4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144383
2-(cyclopentyloxyamino)-N-(2-methoxyphenyl)acetamide
CID 83228402
N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 8000352
N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 804772
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 106133704

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide (CID 112998571) is N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide is COc1ccccc1NC(=O)CNC(=O)C1CCC1.
What is the InChIKey of N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide?
The InChIKey is AIYQGYXPXQTVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-12-8-3-2-7-11(12)16-13(17)9-15-14(18)10-5-4-6-10/h2-3,7-8,10H,4-6,9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide?
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide is sourced from PubChem (CID 112998571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).