N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide

C15H21NO3 — CID 17173548

IUPACN-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)C2CCCO2)cc1
InChIInChI=1S/C15H21NO3/c1-3-18-13-8-6-12(7-9-13)11(2)16-15(17)14-5-4-10-19-14/h6-9,11,14H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyYKQDKQYDGNTUFX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.44
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide

N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide (PubChem CID 17173548) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide
PubChem CID17173548
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)C2CCCO2)cc1
InChIInChI=1S/C15H21NO3/c1-3-18-13-8-6-12(7-9-13)11(2)16-15(17)14-5-4-10-19-14/h6-9,11,14H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyYKQDKQYDGNTUFX-UHFFFAOYSA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]oxolane-2-carboxamide
CID 124881098
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
N-[1-[4-(aminomethyl)phenyl]ethyl]oxolane-2-carboxamide
CID 54936119
(2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 38920001
cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 124756785
N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide
CID 47004753
(2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide
CID 35367348
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide
CID 108541899
N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 78810784
N-[1-(4-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51292830
N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 46449818

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide (CID 17173548) is N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide is CCOc1ccc(C(C)NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is YKQDKQYDGNTUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-18-13-8-6-12(7-9-13)11(2)16-15(17)14-5-4-10-19-14/h6-9,11,14H,3-5,10H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide?
N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 17173548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).