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

C18H29N3O2 — CID 113124825

IUPAC3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCCN(C)C)c1c(C)cccc1C
InChIInChI=1S/C18H29N3O2/c1-14-8-6-9-15(2)18(14)21(16(3)22)13-10-17(23)19-11-7-12-20(4)5/h6,8-9H,7,10-13H2,1-5H3,(H,19,23)
InChIKeyKXBBBKBTYLFONU-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.11
Rot. Bonds8

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

3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 113124825) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
PubChem CID113124825
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCCN(C)C)c1c(C)cccc1C
InChIInChI=1S/C18H29N3O2/c1-14-8-6-9-15(2)18(14)21(16(3)22)13-10-17(23)19-11-7-12-20(4)5/h6,8-9H,7,10-13H2,1-5H3,(H,19,23)
InChIKeyKXBBBKBTYLFONU-UHFFFAOYSA-N
XLogP2.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113126259
3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113125984
3-(N-acetyl-4-bromo-3-methylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113132786
3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123546
3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113124832
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]propanamide
CID 113058073
3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113128887
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]-3-phenoxypropanamide
CID 113058113
3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide
CID 113126035
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113125511
3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123741
3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124897

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide (CID 113124825) is 3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide is CC(=O)N(CCC(=O)NCCCN(C)C)c1c(C)cccc1C.
What is the InChIKey of 3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is KXBBBKBTYLFONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14-8-6-9-15(2)18(14)21(16(3)22)13-10-17(23)19-11-7-12-20(4)5/h6,8-9H,7,10-13H2,1-5H3,(H,19,23).
What are the key properties of 3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide?
3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 319.45 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 113124825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).