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

C18H27N3O3 — CID 54834167

IUPACN,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H27N3O3/c1-3-21(4-2)18(23)14-7-9-15(10-8-14)19-13-17(22)20-12-16-6-5-11-24-16/h7-10,16,19H,3-6,11-13H2,1-2H3,(H,20,22)
InChIKeyBXQRXAWNXPHCGM-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.88
Rot. Bonds8

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

N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide (PubChem CID 54834167) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
PubChem CID54834167
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H27N3O3/c1-3-21(4-2)18(23)14-7-9-15(10-8-14)19-13-17(22)20-12-16-6-5-11-24-16/h7-10,16,19H,3-6,11-13H2,1-2H3,(H,20,22)
InChIKeyBXQRXAWNXPHCGM-UHFFFAOYSA-N
XLogP1.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54840683
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659
2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54820456
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-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604
N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943661
N,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 54833878
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
4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide (CID 54834167) is N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide?
The InChIKey is BXQRXAWNXPHCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-21(4-2)18(23)14-7-9-15(10-8-14)19-13-17(22)20-12-16-6-5-11-24-16/h7-10,16,19H,3-6,11-13H2,1-2H3,(H,20,22).
What are the key properties of N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide?
N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide has a molecular weight of 333.43 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide is sourced from PubChem (CID 54834167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).