N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide

C15H22N2O2 — CID 106910070

IUPACN-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide
SMILESCCNCc1ccc(NC(=O)C2CCCCO2)cc1
InChIInChI=1S/C15H22N2O2/c1-2-16-11-12-6-8-13(9-7-12)17-15(18)14-5-3-4-10-19-14/h6-9,14,16H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyRYCOXWBZRANTBI-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.30
Rot. Bonds5

About N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide

N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide (PubChem CID 106910070) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide
PubChem CID106910070
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide
SMILESCCNCc1ccc(NC(=O)C2CCCCO2)cc1
InChIInChI=1S/C15H22N2O2/c1-2-16-11-12-6-8-13(9-7-12)17-15(18)14-5-3-4-10-19-14/h6-9,14,16H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyRYCOXWBZRANTBI-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]oxane-2-carboxamide
CID 62214191
N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide
CID 62212827
3-[4-(oxane-2-carbonylamino)phenyl]propanoic acid
CID 115339436
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
N-(4-tert-butylphenyl)oxane-2-carboxamide
CID 110858471
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]oxane-2-carboxamide
CID 62301919
N-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide
CID 71856922
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649
(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide
CID 94118926
N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide
CID 110778617
N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 4198331
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide?
The IUPAC name of N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide (CID 106910070) is N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide.
What is the SMILES notation for N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide?
The canonical SMILES for N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide is CCNCc1ccc(NC(=O)C2CCCCO2)cc1.
What is the InChIKey of N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide?
The InChIKey is RYCOXWBZRANTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-16-11-12-6-8-13(9-7-12)17-15(18)14-5-3-4-10-19-14/h6-9,14,16H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide?
N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide is sourced from PubChem (CID 106910070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).