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

C17H25N3O4 — CID 54835847

IUPACN-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H25N3O4/c1-23-10-8-18-17(22)13-4-6-14(7-5-13)19-12-16(21)20-11-15-3-2-9-24-15/h4-7,15,19H,2-3,8-12H2,1H3,(H,18,22)(H,20,21)
InChIKeyMDQOGSZBHDCAGN-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.77
Rot. Bonds9

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

N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide (PubChem CID 54835847) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
PubChem CID54835847
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H25N3O4/c1-23-10-8-18-17(22)13-4-6-14(7-5-13)19-12-16(21)20-11-15-3-2-9-24-15/h4-7,15,19H,2-3,8-12H2,1H3,(H,18,22)(H,20,21)
InChIKeyMDQOGSZBHDCAGN-UHFFFAOYSA-N
XLogP0.77
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54843811
N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54840683
2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54820456
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659
N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54834167
N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943055
4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836660
4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836443
N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822674
2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 119670121
4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294
4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54835797

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide (CID 54835847) is N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide is COCCNC(=O)c1ccc(NCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide?
The InChIKey is MDQOGSZBHDCAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-23-10-8-18-17(22)13-4-6-14(7-5-13)19-12-16(21)20-11-15-3-2-9-24-15/h4-7,15,19H,2-3,8-12H2,1H3,(H,18,22)(H,20,21).
What are the key properties of N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide?
N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide has a molecular weight of 335.40 g/mol, XLogP of 0.77, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide is sourced from PubChem (CID 54835847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).