2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide

C16H27N3O — CID 28572661

IUPAC2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNCC(C)(C)CN(C)C)c1
InChIInChI=1S/C16H27N3O/c1-13-7-6-8-14(9-13)18-15(20)10-17-11-16(2,3)12-19(4)5/h6-9,17H,10-12H2,1-5H3,(H,18,20)
InChIKeyWZWSIENQCLFZQF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.11
Rot. Bonds7

About 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide

2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide (PubChem CID 28572661) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide
PubChem CID28572661
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNCC(C)(C)CN(C)C)c1
InChIInChI=1S/C16H27N3O/c1-13-7-6-8-14(9-13)18-15(20)10-17-11-16(2,3)12-19(4)5/h6-9,17H,10-12H2,1-5H3,(H,18,20)
InChIKeyWZWSIENQCLFZQF-UHFFFAOYSA-N
XLogP2.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 28572652
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-phenylacetamide
CID 28572618
N-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide
CID 106147607
N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide
CID 113293844
N-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide
CID 106292026
2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide
CID 78915363
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 103911929
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 43389800
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
(2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide
CID 97200777
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
2-(2,2-dimethylbutylamino)-N-phenylacetamide
CID 113242973

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide (CID 28572661) is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CNCC(C)(C)CN(C)C)c1.
What is the InChIKey of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide?
The InChIKey is WZWSIENQCLFZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13-7-6-8-14(9-13)18-15(20)10-17-11-16(2,3)12-19(4)5/h6-9,17H,10-12H2,1-5H3,(H,18,20).
What are the key properties of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide?
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 28572661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).