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

C17H24N2O3 — CID 31973447

IUPACN-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2CCOCC2)c1
InChIInChI=1S/C17H24N2O3/c1-3-19(4-2)17(21)14-6-5-7-15(12-14)18-16(20)13-8-10-22-11-9-13/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,18,20)
InChIKeyURXMQLFVQIEIAR-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.53
Rot. Bonds5

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

N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide (PubChem CID 31973447) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide
PubChem CID31973447
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2CCOCC2)c1
InChIInChI=1S/C17H24N2O3/c1-3-19(4-2)17(21)14-6-5-7-15(12-14)18-16(20)13-8-10-22-11-9-13/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,18,20)
InChIKeyURXMQLFVQIEIAR-UHFFFAOYSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide
CID 119685393
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119685392
N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041040
N-ethyl-N-(oxan-4-ylmethyl)-3-(prop-2-enoylamino)benzamide
CID 166410817
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269061
N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941
N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
CID 43601115
3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 102556035
N-[3-(diethylcarbamoyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26079950
(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 94489977

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide (CID 31973447) is N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)C2CCOCC2)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide?
The InChIKey is URXMQLFVQIEIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-19(4-2)17(21)14-6-5-7-15(12-14)18-16(20)13-8-10-22-11-9-13/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide?
N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 31973447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).