2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide

C15H25N3O — CID 63059312

IUPAC2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccccc1CNC(C)(C)C
InChIInChI=1S/C15H25N3O/c1-15(2,3)17-10-12-8-6-7-9-13(12)18(5)11-14(19)16-4/h6-9,17H,10-11H2,1-5H3,(H,16,19)
InChIKeyNTPHITAJKNYWMO-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.76
Rot. Bonds5

About 2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide

2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide (PubChem CID 63059312) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide
PubChem CID63059312
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccccc1CNC(C)(C)C
InChIInChI=1S/C15H25N3O/c1-15(2,3)17-10-12-8-6-7-9-13(12)18(5)11-14(19)16-4/h6-9,17H,10-11H2,1-5H3,(H,16,19)
InChIKeyNTPHITAJKNYWMO-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide
CID 63060924
2-[2-(hydroxymethyl)-N-methylanilino]-N-methylacetamide
CID 43375132
N-methyl-2-[N-methyl-2-[(2-methylpropylamino)methyl]anilino]acetamide
CID 63059313
2-[N-(2-amino-2-oxoethyl)-2-[(tert-butylamino)methyl]anilino]acetamide
CID 63072276
2-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide
CID 63059492
N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide
CID 54980661
2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline
CID 63060146
3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide
CID 106916760
3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide
CID 106916789
2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81057039
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide
CID 115954742

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide (CID 63059312) is 2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide is CNC(=O)CN(C)c1ccccc1CNC(C)(C)C.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide?
The InChIKey is NTPHITAJKNYWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)17-10-12-8-6-7-9-13(12)18(5)11-14(19)16-4/h6-9,17H,10-11H2,1-5H3,(H,16,19).
What are the key properties of 2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide?
2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide has a molecular weight of 263.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide is sourced from PubChem (CID 63059312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).