2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide

C15H26N4O — CID 108995317

IUPAC2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)CNc1ccc(N(C)C)cc1
InChIInChI=1S/C15H26N4O/c1-18(2)11-5-10-16-15(20)12-17-13-6-8-14(9-7-13)19(3)4/h6-9,17H,5,10-12H2,1-4H3,(H,16,20)
InChIKeyJBMLECNTYFZPPQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.23
Rot. Bonds8

About 2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide

2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 108995317) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide
PubChem CID108995317
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)CNc1ccc(N(C)C)cc1
InChIInChI=1S/C15H26N4O/c1-18(2)11-5-10-16-15(20)12-17-13-6-8-14(9-7-13)19(3)4/h6-9,17H,5,10-12H2,1-4H3,(H,16,20)
InChIKeyJBMLECNTYFZPPQ-UHFFFAOYSA-N
XLogP1.23
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

ethyl 4-[[2-[3-(dimethylamino)propylamino]-2-oxoethyl]amino]benzoate
CID 108995337
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
N-(cyanomethyl)-2-[4-(dimethylamino)anilino]acetamide
CID 43617058
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
2-[4-(dimethylamino)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 60685378
N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide
CID 108995266
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide
CID 113156119
2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995310
3-[4-(dimethylamino)anilino]-N-pentylpropanamide
CID 109032181
2-[4-[acetyl(methyl)amino]anilino]-N-hexadecylacetamide
CID 54811304
2-[4-(dimethylamino)anilino]acetic acid
CID 28744032
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide (CID 108995317) is 2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide is CN(C)CCCNC(=O)CNc1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is JBMLECNTYFZPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-18(2)11-5-10-16-15(20)12-17-13-6-8-14(9-7-13)19(3)4/h6-9,17H,5,10-12H2,1-4H3,(H,16,20).
What are the key properties of 2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide?
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 108995317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).