2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide

C15H25N3O — CID 108994500

IUPAC2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CNCCN(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-12(2)13-5-7-14(8-6-13)17-15(19)11-16-9-10-18(3)4/h5-8,12,16H,9-11H2,1-4H3,(H,17,19)
InChIKeyMWGCAWNCLNMLSB-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.90
Rot. Bonds7

About 2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide

2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 108994500) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID108994500
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CNCCN(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-12(2)13-5-7-14(8-6-13)17-15(19)11-16-9-10-18(3)4/h5-8,12,16H,9-11H2,1-4H3,(H,17,19)
InChIKeyMWGCAWNCLNMLSB-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.90
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

2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide
CID 108994496
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
4-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]amino]butanoic acid
CID 43473710
2-[2-(4-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109002847
2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide
CID 23653294
2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109000448
2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672801
N-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62642513
2-acetamido-N-(4-propan-2-ylphenyl)acetamide
CID 110687041
N-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994520
1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8624818
2-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2112763

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide (CID 108994500) is 2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CNCCN(C)C)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is MWGCAWNCLNMLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)13-5-7-14(8-6-13)17-15(19)11-16-9-10-18(3)4/h5-8,12,16H,9-11H2,1-4H3,(H,17,19).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide?
2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 108994500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).