4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzamide

C14H20N2O2 — CID 3118740

IUPAC4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(C)c1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H20N2O2/c1-16(2)12-7-5-11(6-8-12)14(17)15-10-13-4-3-9-18-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyAFBUAPQCZFPKRO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.66
Rot. Bonds4

About 4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzamide

4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3118740) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID3118740
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(C)c1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H20N2O2/c1-16(2)12-7-5-11(6-8-12)14(17)15-10-13-4-3-9-18-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyAFBUAPQCZFPKRO-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzamide (CID 3118740) is 4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzamide is CN(C)c1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is AFBUAPQCZFPKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(2)12-7-5-11(6-8-12)14(17)15-10-13-4-3-9-18-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of 4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzamide?
4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3118740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).