2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide

C15H25N3O — CID 60685338

IUPAC2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNc1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-5-12(6-2)17-15(19)11-16-13-7-9-14(10-8-13)18(3)4/h7-10,12,16H,5-6,11H2,1-4H3,(H,17,19)
InChIKeyZSQLLUGPMKXRLK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.47
Rot. Bonds7

About 2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide

2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide (PubChem CID 60685338) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide
PubChem CID60685338
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNc1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-5-12(6-2)17-15(19)11-16-13-7-9-14(10-8-13)18(3)4/h7-10,12,16H,5-6,11H2,1-4H3,(H,17,19)
InChIKeyZSQLLUGPMKXRLK-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylamino)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 60685378
N-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide
CID 2455475
2-[4-(dimethylamino)anilino]acetic acid
CID 28744032
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide
CID 43617050
N-(cyanomethyl)-2-[4-(dimethylamino)anilino]acetamide
CID 43617058
2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide
CID 60671364
2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide
CID 54811338
N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109008556
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995317
ethyl 4-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]benzoate
CID 109010353
2-[(6-methoxy-3-pyridinyl)amino]-N-pentan-3-ylacetamide
CID 54957106

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide (CID 60685338) is 2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNc1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide?
The InChIKey is ZSQLLUGPMKXRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-12(6-2)17-15(19)11-16-13-7-9-14(10-8-13)18(3)4/h7-10,12,16H,5-6,11H2,1-4H3,(H,17,19).
What are the key properties of 2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide?
2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide has a molecular weight of 263.38 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 60685338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).