N-[[2-(2-methoxyethylamino)phenyl]methyl]oxane-3-carboxamide

C16H24N2O3 — CID 71968823

IUPACN-[[2-(2-methoxyethylamino)phenyl]methyl]oxane-3-carboxamide
SMILESCOCCNc1ccccc1CNC(=O)C1CCCOC1
InChIInChI=1S/C16H24N2O3/c1-20-10-8-17-15-7-3-2-5-13(15)11-18-16(19)14-6-4-9-21-12-14/h2-3,5,7,14,17H,4,6,8-12H2,1H3,(H,18,19)
InChIKeyTWKHNBJXZQMBOK-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.79
Rot. Bonds7

About N-[[2-(2-methoxyethylamino)phenyl]methyl]oxane-3-carboxamide

N-[[2-(2-methoxyethylamino)phenyl]methyl]oxane-3-carboxamide (PubChem CID 71968823) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[2-(2-methoxyethylamino)phenyl]methyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyethylamino)phenyl]methyl]oxane-3-carboxamide
PubChem CID71968823
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[[2-(2-methoxyethylamino)phenyl]methyl]oxane-3-carboxamide
SMILESCOCCNc1ccccc1CNC(=O)C1CCCOC1
InChIInChI=1S/C16H24N2O3/c1-20-10-8-17-15-7-3-2-5-13(15)11-18-16(19)14-6-4-9-21-12-14/h2-3,5,7,14,17H,4,6,8-12H2,1H3,(H,18,19)
InChIKeyTWKHNBJXZQMBOK-UHFFFAOYSA-N
XLogP1.79
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethylamino)phenyl]methyl]oxane-3-carboxamide?
The IUPAC name of N-[[2-(2-methoxyethylamino)phenyl]methyl]oxane-3-carboxamide (CID 71968823) is N-[[2-(2-methoxyethylamino)phenyl]methyl]oxane-3-carboxamide.
What is the SMILES notation for N-[[2-(2-methoxyethylamino)phenyl]methyl]oxane-3-carboxamide?
The canonical SMILES for N-[[2-(2-methoxyethylamino)phenyl]methyl]oxane-3-carboxamide is COCCNc1ccccc1CNC(=O)C1CCCOC1.
What is the InChIKey of N-[[2-(2-methoxyethylamino)phenyl]methyl]oxane-3-carboxamide?
The InChIKey is TWKHNBJXZQMBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-10-8-17-15-7-3-2-5-13(15)11-18-16(19)14-6-4-9-21-12-14/h2-3,5,7,14,17H,4,6,8-12H2,1H3,(H,18,19).
What are the key properties of N-[[2-(2-methoxyethylamino)phenyl]methyl]oxane-3-carboxamide?
N-[[2-(2-methoxyethylamino)phenyl]methyl]oxane-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethylamino)phenyl]methyl]oxane-3-carboxamide is sourced from PubChem (CID 71968823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).