2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide

C17H25NO3 — CID 128995855

IUPAC2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide
SMILESCCC1OCCCC1C(=O)NCc1ccc(C)c(OC)c1
InChIInChI=1S/C17H25NO3/c1-4-15-14(6-5-9-21-15)17(19)18-11-13-8-7-12(2)16(10-13)20-3/h7-8,10,14-15H,4-6,9,11H2,1-3H3,(H,18,19)
InChIKeyFINRXPSLCMXXEZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.83
Rot. Bonds5

About 2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide

2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide (PubChem CID 128995855) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide
PubChem CID128995855
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide
SMILESCCC1OCCCC1C(=O)NCc1ccc(C)c(OC)c1
InChIInChI=1S/C17H25NO3/c1-4-15-14(6-5-9-21-15)17(19)18-11-13-8-7-12(2)16(10-13)20-3/h7-8,10,14-15H,4-6,9,11H2,1-3H3,(H,18,19)
InChIKeyFINRXPSLCMXXEZ-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975519
(2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
CID 128980543
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide
CID 114105082
trans-(1S,2S)-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6957823
N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 51092485
N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119747493
(2R,3R)-2-ethyl-N-(4-methoxy-3-pyridinyl)oxane-3-carboxamide
CID 129479124
1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130474
N-[3-[[[N-[2-(3-methoxy-4-methylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111588849
N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 60570389
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide?
The IUPAC name of 2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide (CID 128995855) is 2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide is CCC1OCCCC1C(=O)NCc1ccc(C)c(OC)c1.
What is the InChIKey of 2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide?
The InChIKey is FINRXPSLCMXXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-15-14(6-5-9-21-15)17(19)18-11-13-8-7-12(2)16(10-13)20-3/h7-8,10,14-15H,4-6,9,11H2,1-3H3,(H,18,19).
What are the key properties of 2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide?
2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide is sourced from PubChem (CID 128995855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).