3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide

C16H23NO4 — CID 134000631

IUPAC3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCOCC2CCCO2)c1
InChIInChI=1S/C16H23NO4/c1-19-14-6-2-5-13(11-14)16(18)17-8-4-9-20-12-15-7-3-10-21-15/h2,5-6,11,15H,3-4,7-10,12H2,1H3,(H,17,18)
InChIKeyAMGGYBKLBWSURA-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.01
Rot. Bonds8

About 3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide

3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide (PubChem CID 134000631) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
PubChem CID134000631
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCOCC2CCCO2)c1
InChIInChI=1S/C16H23NO4/c1-19-14-6-2-5-13(11-14)16(18)17-8-4-9-20-12-15-7-3-10-21-15/h2,5-6,11,15H,3-4,7-10,12H2,1H3,(H,17,18)
InChIKeyAMGGYBKLBWSURA-UHFFFAOYSA-N
XLogP2.01
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.01
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

3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 42944644
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide
CID 125419741
3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033
4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 78817984

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide (CID 134000631) is 3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide is COc1cccc(C(=O)NCCCOCC2CCCO2)c1.
What is the InChIKey of 3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The InChIKey is AMGGYBKLBWSURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-14-6-2-5-13(11-14)16(18)17-8-4-9-20-12-15-7-3-10-21-15/h2,5-6,11,15H,3-4,7-10,12H2,1H3,(H,17,18).
What are the key properties of 3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide has a molecular weight of 293.36 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide is sourced from PubChem (CID 134000631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).