3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide

C16H27N3O — CID 109016429

IUPAC3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCNCCN(C)C
InChIInChI=1S/C16H27N3O/c1-5-14-8-6-7-13(2)16(14)18-15(20)9-10-17-11-12-19(3)4/h6-8,17H,5,9-12H2,1-4H3,(H,18,20)
InChIKeyVCJPOIVOQBJZEZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.04
Rot. Bonds8

About 3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide

3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 109016429) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID109016429
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCNCCN(C)C
InChIInChI=1S/C16H27N3O/c1-5-14-8-6-7-13(2)16(14)18-15(20)9-10-17-11-12-19(3)4/h6-8,17H,5,9-12H2,1-4H3,(H,18,20)
InChIKeyVCJPOIVOQBJZEZ-UHFFFAOYSA-N
XLogP2.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.04
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-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide
CID 109019985
N-(2,6-dimethylphenyl)-3-(propylamino)propanamide
CID 59981693
2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 134064956
N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019316
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109033314
3-(2-ethyl-6-methylanilino)-N-(4-methylphenyl)propanamide
CID 109034345
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893
2-(dimethylamino)ethyl N-(2-ethyl-6-methylphenyl)carbamate
CID 44722433
3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109036621
2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133722

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide (CID 109016429) is 3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)CCNCCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is VCJPOIVOQBJZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-14-8-6-7-13(2)16(14)18-15(20)9-10-17-11-12-19(3)4/h6-8,17H,5,9-12H2,1-4H3,(H,18,20).
What are the key properties of 3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide?
3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 109016429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).