3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide

C15H21NO4 — CID 125419741

IUPAC3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide
SMILESCOc1cccc(C(=O)NCCO[C@H]2CCCCO2)c1
InChIInChI=1S/C15H21NO4/c1-18-13-6-4-5-12(11-13)15(17)16-8-10-20-14-7-2-3-9-19-14/h4-6,11,14H,2-3,7-10H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyRUTMYCYZIYFVOE-AWEZNQCLSA-N
MW279.34 g/mol
LogP1.97
Rot. Bonds6

About 3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide

3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide (PubChem CID 125419741) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide
PubChem CID125419741
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide
SMILESCOc1cccc(C(=O)NCCO[C@H]2CCCCO2)c1
InChIInChI=1S/C15H21NO4/c1-18-13-6-4-5-12(11-13)15(17)16-8-10-20-14-7-2-3-9-19-14/h4-6,11,14H,2-3,7-10H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyRUTMYCYZIYFVOE-AWEZNQCLSA-N
XLogP1.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 42944644
N-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide
CID 100761485
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000631
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
CID 109051864
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
methyl 3,5-bis[3-[[3,5-bis[3-(oxan-2-yloxy)propoxy]benzoyl]amino]propoxy]benzoate
CID 10677722
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
CID 113056703
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494
N-cyclopropyl-3-methoxybenzamide
CID 900156

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide (CID 125419741) is 3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide is COc1cccc(C(=O)NCCO[C@H]2CCCCO2)c1.
What is the InChIKey of 3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide?
The InChIKey is RUTMYCYZIYFVOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-13-6-4-5-12(11-13)15(17)16-8-10-20-14-7-2-3-9-19-14/h4-6,11,14H,2-3,7-10H2,1H3,(H,16,17)/t14-/m0/s1.
What are the key properties of 3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide?
3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide is sourced from PubChem (CID 125419741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).