3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide

C16H26ClN3O — CID 106916789

IUPAC3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(Cl)ccc1CNC(C)(C)C
InChIInChI=1S/C16H26ClN3O/c1-16(2,3)19-11-12-6-7-13(17)10-14(12)20(5)9-8-15(21)18-4/h6-7,10,19H,8-9,11H2,1-5H3,(H,18,21)
InChIKeyXFXKRJSHIPMUCQ-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.80
Rot. Bonds6

About 3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide

3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide (PubChem CID 106916789) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide
PubChem CID106916789
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(Cl)ccc1CNC(C)(C)C
InChIInChI=1S/C16H26ClN3O/c1-16(2,3)19-11-12-6-7-13(17)10-14(12)20(5)9-8-15(21)18-4/h6-7,10,19H,8-9,11H2,1-5H3,(H,18,21)
InChIKeyXFXKRJSHIPMUCQ-UHFFFAOYSA-N
XLogP2.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide
CID 106914437
2-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 114851978
2-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 114848900
2-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-pentylaniline
CID 114848078
3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide
CID 106916712
2-[(tert-butylamino)methyl]-5-chloro-N-(3-methoxypropyl)-N-methylaniline
CID 114850885
2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopentylmethyl)-N-methylaniline
CID 114851335
2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide
CID 63059312
2-[2-[(tert-butylamino)methyl]-5-chloro-N-propan-2-ylanilino]ethanol
CID 114849745
3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide
CID 106916760
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide
CID 63056878
2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide
CID 63060924

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide?
The IUPAC name of 3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide (CID 106916789) is 3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide.
What is the SMILES notation for 3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide?
The canonical SMILES for 3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide is CNC(=O)CCN(C)c1cc(Cl)ccc1CNC(C)(C)C.
What is the InChIKey of 3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide?
The InChIKey is XFXKRJSHIPMUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-16(2,3)19-11-12-6-7-13(17)10-14(12)20(5)9-8-15(21)18-4/h6-7,10,19H,8-9,11H2,1-5H3,(H,18,21).
What are the key properties of 3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide?
3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide has a molecular weight of 311.86 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide is sourced from PubChem (CID 106916789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).