3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide

C14H20N2O2 — CID 113415251

IUPAC3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCCC2CCOC2)c1
InChIInChI=1S/C14H20N2O2/c15-14(17)13-3-1-2-12(8-13)9-16-6-4-11-5-7-18-10-11/h1-3,8,11,16H,4-7,9-10H2,(H2,15,17)
InChIKeyCMOCTPSCAZGDCF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.30
Rot. Bonds6

About 3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide

3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide (PubChem CID 113415251) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide
PubChem CID113415251
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCCC2CCOC2)c1
InChIInChI=1S/C14H20N2O2/c15-14(17)13-3-1-2-12(8-13)9-16-6-4-11-5-7-18-10-11/h1-3,8,11,16H,4-7,9-10H2,(H2,15,17)
InChIKeyCMOCTPSCAZGDCF-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(oxan-4-yl)ethylamino]methyl]benzoic acid
CID 115221817
3-[(oxolan-3-ylamino)methyl]benzamide
CID 63332008
N-[(3,4-dibromophenyl)methyl]-2-(oxolan-3-yl)ethanamine
CID 113415247
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzamide
CID 103270759
3-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]benzamide
CID 109385718
3-[(thiolan-3-ylmethylamino)methyl]benzamide
CID 107131427
2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol
CID 102671737
3-[(oxolan-3-ylmethylamino)methyl]phenol
CID 60920792
3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide
CID 103848289
3-[[(1,1-dioxothiolan-3-yl)methylamino]methyl]benzamide
CID 55026135
3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide
CID 103699975

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide?
The IUPAC name of 3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide (CID 113415251) is 3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide.
What is the SMILES notation for 3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide?
The canonical SMILES for 3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide is NC(=O)c1cccc(CNCCC2CCOC2)c1.
What is the InChIKey of 3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide?
The InChIKey is CMOCTPSCAZGDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-14(17)13-3-1-2-12(8-13)9-16-6-4-11-5-7-18-10-11/h1-3,8,11,16H,4-7,9-10H2,(H2,15,17).
What are the key properties of 3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide?
3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide is sourced from PubChem (CID 113415251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).