N-ethyl-N-phenyloxane-3-carboxamide

C14H19NO2 — CID 110857893

IUPACN-ethyl-N-phenyloxane-3-carboxamide
SMILESCCN(C(=O)C1CCCOC1)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-15(13-8-4-3-5-9-13)14(16)12-7-6-10-17-11-12/h3-5,8-9,12H,2,6-7,10-11H2,1H3
InChIKeyHPLBWJZAGQYCPP-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.47
Rot. Bonds3

About N-ethyl-N-phenyloxane-3-carboxamide

N-ethyl-N-phenyloxane-3-carboxamide (PubChem CID 110857893) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-ethyl-N-phenyloxane-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-phenyloxane-3-carboxamide
PubChem CID110857893
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-ethyl-N-phenyloxane-3-carboxamide
SMILESCCN(C(=O)C1CCCOC1)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-15(13-8-4-3-5-9-13)14(16)12-7-6-10-17-11-12/h3-5,8-9,12H,2,6-7,10-11H2,1H3
InChIKeyHPLBWJZAGQYCPP-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide
CID 97082635
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784653
(3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide
CID 167114525
(3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide
CID 124841562
(3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 95629587
(3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide
CID 95620326
N-benzyl-N-propan-2-yloxane-3-carboxamide
CID 110855554
N-(furan-2-ylmethyl)-N-phenyloxolane-3-carboxamide
CID 5047915
2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360944
1-(oxan-3-yl)-2-phenylbutan-1-one
CID 107138534

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyloxane-3-carboxamide?
The IUPAC name of N-ethyl-N-phenyloxane-3-carboxamide (CID 110857893) is N-ethyl-N-phenyloxane-3-carboxamide.
What is the SMILES notation for N-ethyl-N-phenyloxane-3-carboxamide?
The canonical SMILES for N-ethyl-N-phenyloxane-3-carboxamide is CCN(C(=O)C1CCCOC1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyloxane-3-carboxamide?
The InChIKey is HPLBWJZAGQYCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-15(13-8-4-3-5-9-13)14(16)12-7-6-10-17-11-12/h3-5,8-9,12H,2,6-7,10-11H2,1H3.
What are the key properties of N-ethyl-N-phenyloxane-3-carboxamide?
N-ethyl-N-phenyloxane-3-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyloxane-3-carboxamide is sourced from PubChem (CID 110857893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).