N-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide

C22H26N2O3 — CID 34092355

IUPACN-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide
SMILESC=C(C)CN(CC)C(=O)COc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-4-24(15-17(2)3)21(25)16-27-20-13-9-8-12-19(20)22(26)23-14-18-10-6-5-7-11-18/h5-13H,2,4,14-16H2,1,3H3,(H,23,26)
InChIKeyGZEJQOXVCMWOCL-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.42
Rot. Bonds9

About N-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide

N-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide (PubChem CID 34092355) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide
PubChem CID34092355
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide
SMILESC=C(C)CN(CC)C(=O)COc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-4-24(15-17(2)3)21(25)16-27-20-13-9-8-12-19(20)22(26)23-14-18-10-6-5-7-11-18/h5-13H,2,4,14-16H2,1,3H3,(H,23,26)
InChIKeyGZEJQOXVCMWOCL-UHFFFAOYSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 112781553
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-ethoxybenzoate
CID 55315041
2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78762100
N-benzyl-2-[2-(2-ethoxyanilino)-2-oxoethoxy]benzamide
CID 7981661
N-benzyl-2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethoxy]benzamide
CID 40919641
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide
CID 9381716
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[2-(4-bromoanilino)-2-oxoethoxy]benzoate
CID 35950064
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
2-(2,6-dimethoxyphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767254
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate
CID 55319893

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide (CID 34092355) is N-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide is C=C(C)CN(CC)C(=O)COc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide?
The InChIKey is GZEJQOXVCMWOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-24(15-17(2)3)21(25)16-27-20-13-9-8-12-19(20)22(26)23-14-18-10-6-5-7-11-18/h5-13H,2,4,14-16H2,1,3H3,(H,23,26).
What are the key properties of N-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide?
N-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 34092355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).