N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide

C17H24N2O3 — CID 112997122

IUPACN-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)CNC(=O)C1CCOCC1
InChIInChI=1S/C17H24N2O3/c1-12(2)14-5-3-4-6-15(14)19-16(20)11-18-17(21)13-7-9-22-10-8-13/h3-6,12-13H,7-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyDUUMPZVDAZOERJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.29
Rot. Bonds5

About N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide

N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide (PubChem CID 112997122) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide
PubChem CID112997122
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)CNC(=O)C1CCOCC1
InChIInChI=1S/C17H24N2O3/c1-12(2)14-5-3-4-6-15(14)19-16(20)11-18-17(21)13-7-9-22-10-8-13/h3-6,12-13H,7-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyDUUMPZVDAZOERJ-UHFFFAOYSA-N
XLogP2.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
CID 112997084
N-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
CID 113001519
1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006797
N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
CID 31962742
N-[2-oxo-2-(propan-2-ylamino)ethyl]oxane-4-carboxamide
CID 51220547
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide
CID 86920153
N-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
CID 113001284
N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide
CID 112997593
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
1-N-(2-methoxyethyl)-4-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146508
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687182
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide
CID 112998973

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide (CID 112997122) is N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide is CC(C)c1ccccc1NC(=O)CNC(=O)C1CCOCC1.
What is the InChIKey of N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide?
The InChIKey is DUUMPZVDAZOERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)14-5-3-4-6-15(14)19-16(20)11-18-17(21)13-7-9-22-10-8-13/h3-6,12-13H,7-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide?
N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 112997122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).