3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide

C14H23N3O — CID 106916760

IUPAC3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide
SMILESCCNCc1ccccc1N(C)CCC(=O)NC
InChIInChI=1S/C14H23N3O/c1-4-16-11-12-7-5-6-8-13(12)17(3)10-9-14(18)15-2/h5-8,16H,4,9-11H2,1-3H3,(H,15,18)
InChIKeyGZVHYEUDEKYUNJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.37
Rot. Bonds7

About 3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide

3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide (PubChem CID 106916760) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide
PubChem CID106916760
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide
SMILESCCNCc1ccccc1N(C)CCC(=O)NC
InChIInChI=1S/C14H23N3O/c1-4-16-11-12-7-5-6-8-13(12)17(3)10-9-14(18)15-2/h5-8,16H,4,9-11H2,1-3H3,(H,15,18)
InChIKeyGZVHYEUDEKYUNJ-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

N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide
CID 54980661
N-methyl-2-[N-methyl-2-[(2-methylpropylamino)methyl]anilino]acetamide
CID 63059313
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281923
2-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 43280883
3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide
CID 106916712
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline
CID 61416767
2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide
CID 63059312
N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine
CID 63699905
2-[2-(hydroxymethyl)-N-methylanilino]-N-methylacetamide
CID 43375132
3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide
CID 106914206
3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide
CID 106916334
2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide
CID 43375159

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide?
The IUPAC name of 3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide (CID 106916760) is 3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide.
What is the SMILES notation for 3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide?
The canonical SMILES for 3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide is CCNCc1ccccc1N(C)CCC(=O)NC.
What is the InChIKey of 3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide?
The InChIKey is GZVHYEUDEKYUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-16-11-12-7-5-6-8-13(12)17(3)10-9-14(18)15-2/h5-8,16H,4,9-11H2,1-3H3,(H,15,18).
What are the key properties of 3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide?
3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide 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 3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide is sourced from PubChem (CID 106916760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).