N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide

C14H23N3O — CID 54980661

IUPACN-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide
SMILESCCNCc1ccccc1N(C)CC(=O)NCC
InChIInChI=1S/C14H23N3O/c1-4-15-10-12-8-6-7-9-13(12)17(3)11-14(18)16-5-2/h6-9,15H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeySHPHOFRWDFHXDO-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.37
Rot. Bonds7

About N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide

N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide (PubChem CID 54980661) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide
PubChem CID54980661
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide
SMILESCCNCc1ccccc1N(C)CC(=O)NCC
InChIInChI=1S/C14H23N3O/c1-4-15-10-12-8-6-7-9-13(12)17(3)11-14(18)16-5-2/h6-9,15H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeySHPHOFRWDFHXDO-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide
CID 106916760
N-methyl-2-[N-methyl-2-[(2-methylpropylamino)methyl]anilino]acetamide
CID 63059313
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281923
2-[4-chloro-N-methyl-2-[(2-methylpropylamino)methyl]anilino]-N-ethylacetamide
CID 114849464
2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide
CID 81149499
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline
CID 61416767
2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide
CID 63059312
2-[2-(hydroxymethyl)-N-methylanilino]-N-methylacetamide
CID 43375132
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide
CID 43458547
2-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 43280883
N-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide
CID 119507028

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide?
The IUPAC name of N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide (CID 54980661) is N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide.
What is the SMILES notation for N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide?
The canonical SMILES for N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide is CCNCc1ccccc1N(C)CC(=O)NCC.
What is the InChIKey of N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide?
The InChIKey is SHPHOFRWDFHXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-15-10-12-8-6-7-9-13(12)17(3)11-14(18)16-5-2/h6-9,15H,4-5,10-11H2,1-3H3,(H,16,18).
What are the key properties of N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide?
N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide is sourced from PubChem (CID 54980661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).