N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide

C16H27N3O — CID 108994503

IUPACN-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCN(C)CCNCC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H27N3O/c1-16(2,3)13-8-6-7-9-14(13)18-15(20)12-17-10-11-19(4)5/h6-9,17H,10-12H2,1-5H3,(H,18,20)
InChIKeyXOCVRTNYXCHYSF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.07
Rot. Bonds6

About N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide

N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide (PubChem CID 108994503) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
PubChem CID108994503
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCN(C)CCNCC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H27N3O/c1-16(2,3)13-8-6-7-9-14(13)18-15(20)12-17-10-11-19(4)5/h6-9,17H,10-12H2,1-5H3,(H,18,20)
InChIKeyXOCVRTNYXCHYSF-UHFFFAOYSA-N
XLogP2.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 28586901
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78912848
N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914752
N-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 109000452
N-(2-tert-butylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide
CID 108997968
2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 108994489
N-(2-tert-butylphenyl)-2-methylsulfanylacetamide
CID 67575618
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113117902
2-(4-acetylanilino)-N-(2-tert-butylphenyl)acetamide
CID 30534468
N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583681
N-(2-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185554

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide (CID 108994503) is N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide is CN(C)CCNCC(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The InChIKey is XOCVRTNYXCHYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2,3)13-8-6-7-9-14(13)18-15(20)12-17-10-11-19(4)5/h6-9,17H,10-12H2,1-5H3,(H,18,20).
What are the key properties of N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide is sourced from PubChem (CID 108994503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).