2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide

C16H26ClN3O — CID 63060390

IUPAC2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1cccc(Cl)c1CNC(C)(C)C
InChIInChI=1S/C16H26ClN3O/c1-16(2,3)18-10-12-13(17)8-7-9-14(12)20(6)11-15(21)19(4)5/h7-9,18H,10-11H2,1-6H3
InChIKeyPDOKGTZUQBYKSR-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.75
Rot. Bonds5

About 2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide

2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide (PubChem CID 63060390) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide
PubChem CID63060390
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1cccc(Cl)c1CNC(C)(C)C
InChIInChI=1S/C16H26ClN3O/c1-16(2,3)18-10-12-13(17)8-7-9-14(12)20(6)11-15(21)19(4)5/h7-9,18H,10-11H2,1-6H3
InChIKeyPDOKGTZUQBYKSR-UHFFFAOYSA-N
XLogP2.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-2-[(cyclopropylamino)methyl]-N-methylanilino]-N,N-dimethylacetamide
CID 43375220
N'-[2-[(tert-butylamino)methyl]-3-chlorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63698868
2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide
CID 63072064
2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline
CID 63552442
2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 82977349
3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide
CID 114319843
2-[(tert-butylamino)methyl]-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 115986284
2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide
CID 54948718
1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol
CID 66038942
2-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 63551010
3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 114318944
3-chloro-2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 60893129

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide (CID 63060390) is 2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)c1cccc(Cl)c1CNC(C)(C)C.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide?
The InChIKey is PDOKGTZUQBYKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-16(2,3)18-10-12-13(17)8-7-9-14(12)20(6)11-15(21)19(4)5/h7-9,18H,10-11H2,1-6H3.
What are the key properties of 2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide?
2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide has a molecular weight of 311.86 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide is sourced from PubChem (CID 63060390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).