3-[4-(dimethylamino)anilino]-N-pentylpropanamide

C16H27N3O — CID 109032181

IUPAC3-[4-(dimethylamino)anilino]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCNc1ccc(N(C)C)cc1
InChIInChI=1S/C16H27N3O/c1-4-5-6-12-18-16(20)11-13-17-14-7-9-15(10-8-14)19(2)3/h7-10,17H,4-6,11-13H2,1-3H3,(H,18,20)
InChIKeyWALYSWIDWXDIRV-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.86
Rot. Bonds9

About 3-[4-(dimethylamino)anilino]-N-pentylpropanamide

3-[4-(dimethylamino)anilino]-N-pentylpropanamide (PubChem CID 109032181) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[4-(dimethylamino)anilino]-N-pentylpropanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)anilino]-N-pentylpropanamide
PubChem CID109032181
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[4-(dimethylamino)anilino]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCNc1ccc(N(C)C)cc1
InChIInChI=1S/C16H27N3O/c1-4-5-6-12-18-16(20)11-13-17-14-7-9-15(10-8-14)19(2)3/h7-10,17H,4-6,11-13H2,1-3H3,(H,18,20)
InChIKeyWALYSWIDWXDIRV-UHFFFAOYSA-N
XLogP2.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylanilino)-N-pentylpropanamide
CID 109032122
1-N-butyl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 18322589
N-butyl-3-(4-methoxyanilino)propanamide
CID 109012293
3-(3,5-dimethylanilino)-N-pentylpropanamide
CID 109032129
N-butyl-3-(pyridin-4-ylamino)propanamide
CID 129043658
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
2-[4-[acetyl(methyl)amino]anilino]-N-hexadecylacetamide
CID 54811304
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995317
4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048766
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide
CID 109018533
N-[2-(4-hydroxyanilino)ethyl]octadecanamide
CID 54485525

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)anilino]-N-pentylpropanamide?
The IUPAC name of 3-[4-(dimethylamino)anilino]-N-pentylpropanamide (CID 109032181) is 3-[4-(dimethylamino)anilino]-N-pentylpropanamide.
What is the SMILES notation for 3-[4-(dimethylamino)anilino]-N-pentylpropanamide?
The canonical SMILES for 3-[4-(dimethylamino)anilino]-N-pentylpropanamide is CCCCCNC(=O)CCNc1ccc(N(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylamino)anilino]-N-pentylpropanamide?
The InChIKey is WALYSWIDWXDIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-5-6-12-18-16(20)11-13-17-14-7-9-15(10-8-14)19(2)3/h7-10,17H,4-6,11-13H2,1-3H3,(H,18,20).
What are the key properties of 3-[4-(dimethylamino)anilino]-N-pentylpropanamide?
3-[4-(dimethylamino)anilino]-N-pentylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)anilino]-N-pentylpropanamide is sourced from PubChem (CID 109032181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).