N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide

C18H22N2O2 — CID 54824566

IUPACN-benzyl-2-(3-ethoxyanilino)-N-methylacetamide
SMILESCCOc1cccc(NCC(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-3-22-17-11-7-10-16(12-17)19-13-18(21)20(2)14-15-8-5-4-6-9-15/h4-12,19H,3,13-14H2,1-2H3
InChIKeyFUMGLNIKGUCGTJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.16
Rot. Bonds7

About N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide

N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide (PubChem CID 54824566) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-ethoxyanilino)-N-methylacetamide
PubChem CID54824566
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-benzyl-2-(3-ethoxyanilino)-N-methylacetamide
SMILESCCOc1cccc(NCC(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-3-22-17-11-7-10-16(12-17)19-13-18(21)20(2)14-15-8-5-4-6-9-15/h4-12,19H,3,13-14H2,1-2H3
InChIKeyFUMGLNIKGUCGTJ-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54821466
3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832457
N-[3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839121
2-anilino-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60683095
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-methylbenzamide
CID 54827428
N-benzyl-2-(2,6-diethylanilino)-N-methylacetamide
CID 108997433
N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54841930
N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide
CID 22306767
3-ethoxy-N-(2-phenylethyl)aniline
CID 13391245
N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108946133
N-benzyl-3-[[2-(3-hexoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54841928

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide (CID 54824566) is N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide is CCOc1cccc(NCC(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide?
The InChIKey is FUMGLNIKGUCGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-22-17-11-7-10-16(12-17)19-13-18(21)20(2)14-15-8-5-4-6-9-15/h4-12,19H,3,13-14H2,1-2H3.
What are the key properties of N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide?
N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide has a molecular weight of 298.39 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide is sourced from PubChem (CID 54824566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).