N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide

C15H22N2O2 — CID 43695009

IUPACN,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NCC1CCOC1
InChIInChI=1S/C15H22N2O2/c1-11-4-5-13(15(18)17(2)3)8-14(11)16-9-12-6-7-19-10-12/h4-5,8,12,16H,6-7,9-10H2,1-3H3
InChIKeyWDBGFCKBKUYIBL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.15
Rot. Bonds4

About N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide

N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide (PubChem CID 43695009) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide
PubChem CID43695009
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NCC1CCOC1
InChIInChI=1S/C15H22N2O2/c1-11-4-5-13(15(18)17(2)3)8-14(11)16-9-12-6-7-19-10-12/h4-5,8,12,16H,6-7,9-10H2,1-3H3
InChIKeyWDBGFCKBKUYIBL-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide
CID 82989654
3-methyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43706987
4-amino-3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylbenzamide
CID 63360796
3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
CID 63211762
N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62656532
4-fluoro-3-(oxolan-3-ylmethylamino)benzoic acid
CID 43728204
methyl 4-fluoro-3-(oxolan-3-ylmethylamino)benzoate
CID 43684495
2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline
CID 43189804
3-amino-4-(oxolan-3-ylmethylamino)benzamide
CID 62822752
3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide
CID 79860799
N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide
CID 122566630
4-methyl-3-(oxolan-3-ylmethylsulfamoyl)benzoic acid
CID 60920449

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide?
The IUPAC name of N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide (CID 43695009) is N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide.
What is the SMILES notation for N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide?
The canonical SMILES for N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide is Cc1ccc(C(=O)N(C)C)cc1NCC1CCOC1.
What is the InChIKey of N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide?
The InChIKey is WDBGFCKBKUYIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-5-13(15(18)17(2)3)8-14(11)16-9-12-6-7-19-10-12/h4-5,8,12,16H,6-7,9-10H2,1-3H3.
What are the key properties of N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide?
N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide has a molecular weight of 262.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide is sourced from PubChem (CID 43695009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).