N-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide

C15H20ClNO3 — CID 74249157

IUPACN-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide
SMILESCCN(CCOc1cccc(Cl)c1)C(=O)C1CCOC1
InChIInChI=1S/C15H20ClNO3/c1-2-17(15(18)12-6-8-19-11-12)7-9-20-14-5-3-4-13(16)10-14/h3-5,10,12H,2,6-9,11H2,1H3
InChIKeyBKVXJFUKGFFTBC-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.60
Rot. Bonds6

About N-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide

N-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide (PubChem CID 74249157) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide
PubChem CID74249157
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide
SMILESCCN(CCOc1cccc(Cl)c1)C(=O)C1CCOC1
InChIInChI=1S/C15H20ClNO3/c1-2-17(15(18)12-6-8-19-11-12)7-9-20-14-5-3-4-13(16)10-14/h3-5,10,12H,2,6-9,11H2,1H3
InChIKeyBKVXJFUKGFFTBC-UHFFFAOYSA-N
XLogP2.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 60938135
4-[2-(3-chlorophenoxy)ethoxy]oxane
CID 172730478
cis-(1R,3S)-3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-ethylcyclopentane-1-carboxamide
CID 133112044
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 18094726
2-[2-(3-chlorophenoxy)ethoxy]oxane-4-carboxylic acid
CID 175749425
N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119298309
(1R,3R,4S)-N-[2-(3-chlorophenoxy)ethyl]-4-hydroxy-3-methoxy-N-methylcyclohexane-1-carboxamide
CID 135097680
1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[3-(oxan-4-ylsulfanylmethyl)phenyl]urea
CID 86962699
N-(2-chloroethyl)-N-ethyloxane-3-carboxamide
CID 63395312
3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61114635
2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one
CID 107138560
N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide
CID 50962275

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide (CID 74249157) is N-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide is CCN(CCOc1cccc(Cl)c1)C(=O)C1CCOC1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide?
The InChIKey is BKVXJFUKGFFTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-2-17(15(18)12-6-8-19-11-12)7-9-20-14-5-3-4-13(16)10-14/h3-5,10,12H,2,6-9,11H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide?
N-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide has a molecular weight of 297.78 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide is sourced from PubChem (CID 74249157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).