N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide

C15H22N2O2 — CID 43601115

IUPACN-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
SMILESCCNCc1cccc(NC(=O)C2CCOCC2)c1
InChIInChI=1S/C15H22N2O2/c1-2-16-11-12-4-3-5-14(10-12)17-15(18)13-6-8-19-9-7-13/h3-5,10,13,16H,2,6-9,11H2,1H3,(H,17,18)
InChIKeyGSRZYYLJALUELW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.16
Rot. Bonds5

About N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide

N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide (PubChem CID 43601115) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
PubChem CID43601115
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
SMILESCCNCc1cccc(NC(=O)C2CCOCC2)c1
InChIInChI=1S/C15H22N2O2/c1-2-16-11-12-4-3-5-14(10-12)17-15(18)13-6-8-19-9-7-13/h3-5,10,13,16H,2,6-9,11H2,1H3,(H,17,18)
InChIKeyGSRZYYLJALUELW-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
CID 106910686
N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride
CID 119438632
N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119438350
N-[3-(bromomethyl)phenyl]oxolane-3-carboxamide
CID 114307353
N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide
CID 39190126
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 119438483
1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 119438060
N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
CID 114293301
N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47371741
N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 31973447
N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide
CID 47052652

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide (CID 43601115) is N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide is CCNCc1cccc(NC(=O)C2CCOCC2)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide?
The InChIKey is GSRZYYLJALUELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-16-11-12-4-3-5-14(10-12)17-15(18)13-6-8-19-9-7-13/h3-5,10,13,16H,2,6-9,11H2,1H3,(H,17,18).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide?
N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 43601115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).