N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide

C16H23N3O3 — CID 54840683

IUPACN,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H23N3O3/c1-19(2)16(21)12-5-7-13(8-6-12)17-11-15(20)18-10-14-4-3-9-22-14/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyUJNJVCDKOHDOKW-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.10
Rot. Bonds6

About N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide

N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide (PubChem CID 54840683) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
PubChem CID54840683
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H23N3O3/c1-19(2)16(21)12-5-7-13(8-6-12)17-11-15(20)18-10-14-4-3-9-22-14/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyUJNJVCDKOHDOKW-UHFFFAOYSA-N
XLogP1.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54834167
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659
N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54835847
N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54843811
N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 108994393
2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54820456
2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604
4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836660
N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829868
1-[[2-(4-methylanilino)acetyl]amino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 8617768
4-[[2-(3,5-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813138
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836415

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide (CID 54840683) is N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide is CN(C)C(=O)c1ccc(NCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide?
The InChIKey is UJNJVCDKOHDOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-19(2)16(21)12-5-7-13(8-6-12)17-11-15(20)18-10-14-4-3-9-22-14/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,18,20).
What are the key properties of N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide?
N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide has a molecular weight of 305.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide is sourced from PubChem (CID 54840683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).