3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide

C16H26ClN3O — CID 109016959

IUPAC3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCc1cc(C)c(NCCC(=O)NCCCN(C)C)c(Cl)c1
InChIInChI=1S/C16H26ClN3O/c1-12-10-13(2)16(14(17)11-12)19-8-6-15(21)18-7-5-9-20(3)4/h10-11,19H,5-9H2,1-4H3,(H,18,21)
InChIKeyFUPHXEGOJPQCDW-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.83
Rot. Bonds8

About 3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide

3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 109016959) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
PubChem CID109016959
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCc1cc(C)c(NCCC(=O)NCCCN(C)C)c(Cl)c1
InChIInChI=1S/C16H26ClN3O/c1-12-10-13(2)16(14(17)11-12)19-8-6-15(21)18-7-5-9-20(3)4/h10-11,19H,5-9H2,1-4H3,(H,18,21)
InChIKeyFUPHXEGOJPQCDW-UHFFFAOYSA-N
XLogP2.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.83
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

3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016268
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995128
N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108944231
3-(2-chloro-4,6-dimethylanilino)propanoic acid
CID 82316593
N-pentyl-3-(2,4,6-trimethylanilino)propanamide
CID 109032138
3-(2-chloro-4,6-dimethylanilino)propanamide
CID 82081050
3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025293
3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038931
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053445
3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017023
N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143138
N-[2-(dimethylamino)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108994656

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide (CID 109016959) is 3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide is Cc1cc(C)c(NCCC(=O)NCCCN(C)C)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is FUPHXEGOJPQCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-12-10-13(2)16(14(17)11-12)19-8-6-15(21)18-7-5-9-20(3)4/h10-11,19H,5-9H2,1-4H3,(H,18,21).
What are the key properties of 3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide?
3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 311.86 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 109016959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).