N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide

C15H21NO2 — CID 2918368

IUPACN-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
SMILESCCOc1ccc(C(C)NC(=O)C2CCC2)cc1
InChIInChI=1S/C15H21NO2/c1-3-18-14-9-7-12(8-10-14)11(2)16-15(17)13-5-4-6-13/h7-11,13H,3-6H2,1-2H3,(H,16,17)
InChIKeyBWXLTBUDLFHTQR-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.06
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide

N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide (PubChem CID 2918368) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
PubChem CID2918368
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
SMILESCCOc1ccc(C(C)NC(=O)C2CCC2)cc1
InChIInChI=1S/C15H21NO2/c1-3-18-14-9-7-12(8-10-14)11(2)16-15(17)13-5-4-6-13/h7-11,13H,3-6H2,1-2H3,(H,16,17)
InChIKeyBWXLTBUDLFHTQR-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide
CID 17173548
cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 124756785
2-[4-[1-[[(4Z)-cyclooct-4-ene-1-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 138029154
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129
N-[1-(4-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51292830
3-amino-N-[4-[1-(4-ethoxyphenyl)ethylamino]-4-oxobutyl]cyclohexane-1-carboxamide;hydrochloride
CID 119821255
N-[1-(4-bromophenyl)ethyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 43873101
2-[4-[(1S)-1-[(4,4-difluorocyclohexanecarbonyl)amino]ethyl]phenoxy]acetic acid
CID 129468768
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide
CID 34483284
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343438

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide (CID 2918368) is N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide is CCOc1ccc(C(C)NC(=O)C2CCC2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide?
The InChIKey is BWXLTBUDLFHTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-14-9-7-12(8-10-14)11(2)16-15(17)13-5-4-6-13/h7-11,13H,3-6H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide?
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide has a molecular weight of 247.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 2918368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).