N-(2,5-diethylphenyl)-4-methoxyoxane-4-carboxamide

C17H25NO3 — CID 126805781

IUPACN-(2,5-diethylphenyl)-4-methoxyoxane-4-carboxamide
SMILESCCc1ccc(CC)c(NC(=O)C2(OC)CCOCC2)c1
InChIInChI=1S/C17H25NO3/c1-4-13-6-7-14(5-2)15(12-13)18-16(19)17(20-3)8-10-21-11-9-17/h6-7,12H,4-5,8-11H2,1-3H3,(H,18,19)
InChIKeyAHHAYOOFODIFRG-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.95
Rot. Bonds5

About N-(2,5-diethylphenyl)-4-methoxyoxane-4-carboxamide

N-(2,5-diethylphenyl)-4-methoxyoxane-4-carboxamide (PubChem CID 126805781) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2,5-diethylphenyl)-4-methoxyoxane-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethylphenyl)-4-methoxyoxane-4-carboxamide
PubChem CID126805781
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(2,5-diethylphenyl)-4-methoxyoxane-4-carboxamide
SMILESCCc1ccc(CC)c(NC(=O)C2(OC)CCOCC2)c1
InChIInChI=1S/C17H25NO3/c1-4-13-6-7-14(5-2)15(12-13)18-16(19)17(20-3)8-10-21-11-9-17/h6-7,12H,4-5,8-11H2,1-3H3,(H,18,19)
InChIKeyAHHAYOOFODIFRG-UHFFFAOYSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide
CID 115295152
4-methoxy-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide
CID 167767001
N-(3-ethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119675705
N-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide
CID 126829410
N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-4-methoxyoxane-4-carboxamide
CID 167767367
3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide
CID 115184564
N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 136554886
N-(5-ethyl-2-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 154733696
N-benzyl-3-methoxyoxolane-3-carboxamide
CID 131015413
3-amino-N-(2,5-diethylphenyl)butanamide
CID 119817500
4-(2,5-diethylanilino)-3-methyl-4-oxobutanoic acid
CID 146081775
1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone
CID 116748642

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethylphenyl)-4-methoxyoxane-4-carboxamide?
The IUPAC name of N-(2,5-diethylphenyl)-4-methoxyoxane-4-carboxamide (CID 126805781) is N-(2,5-diethylphenyl)-4-methoxyoxane-4-carboxamide.
What is the SMILES notation for N-(2,5-diethylphenyl)-4-methoxyoxane-4-carboxamide?
The canonical SMILES for N-(2,5-diethylphenyl)-4-methoxyoxane-4-carboxamide is CCc1ccc(CC)c(NC(=O)C2(OC)CCOCC2)c1.
What is the InChIKey of N-(2,5-diethylphenyl)-4-methoxyoxane-4-carboxamide?
The InChIKey is AHHAYOOFODIFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-13-6-7-14(5-2)15(12-13)18-16(19)17(20-3)8-10-21-11-9-17/h6-7,12H,4-5,8-11H2,1-3H3,(H,18,19).
What are the key properties of N-(2,5-diethylphenyl)-4-methoxyoxane-4-carboxamide?
N-(2,5-diethylphenyl)-4-methoxyoxane-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethylphenyl)-4-methoxyoxane-4-carboxamide is sourced from PubChem (CID 126805781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).