2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide

C15H25N3O — CID 54985902

IUPAC2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccccc1CNC
InChIInChI=1S/C15H25N3O/c1-5-18(11-15(19)17-12(2)3)14-9-7-6-8-13(14)10-16-4/h6-9,12,16H,5,10-11H2,1-4H3,(H,17,19)
InChIKeyPWTRGYUNVCIOSP-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.76
Rot. Bonds7

About 2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide

2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide (PubChem CID 54985902) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
PubChem CID54985902
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccccc1CNC
InChIInChI=1S/C15H25N3O/c1-5-18(11-15(19)17-12(2)3)14-9-7-6-8-13(14)10-16-4/h6-9,12,16H,5,10-11H2,1-4H3,(H,17,19)
InChIKeyPWTRGYUNVCIOSP-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
CID 63070317
2-(N-ethyl-2-methylanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 47121669
2-amino-3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 115545429
2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986481
2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide
CID 114879565
2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
CID 63076971
2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline
CID 107870537
2-(2-carbamothioyl-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide
CID 79512883
2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide
CID 62120917
2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 78990911
2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 63371338

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide (CID 54985902) is 2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1ccccc1CNC.
What is the InChIKey of 2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide?
The InChIKey is PWTRGYUNVCIOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-18(11-15(19)17-12(2)3)14-9-7-6-8-13(14)10-16-4/h6-9,12,16H,5,10-11H2,1-4H3,(H,17,19).
What are the key properties of 2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide?
2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide has a molecular weight of 263.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 54985902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).