3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide

C19H30N2O2 — CID 113126035

IUPAC3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(C(C)=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H30N2O2/c1-6-7-8-10-20-18(23)9-11-21(17(5)22)19-15(3)12-14(2)13-16(19)4/h12-13H,6-11H2,1-5H3,(H,20,23)
InChIKeyRPUIFVVFRCODQY-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.66
Rot. Bonds8

About 3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide

3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide (PubChem CID 113126035) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide
PubChem CID113126035
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(C(C)=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H30N2O2/c1-6-7-8-10-20-18(23)9-11-21(17(5)22)19-15(3)12-14(2)13-16(19)4/h12-13H,6-11H2,1-5H3,(H,20,23)
InChIKeyRPUIFVVFRCODQY-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113125984
3-(N-acetyl-3-bromo-4-methylanilino)-N-butylpropanamide
CID 113128654
3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113124825
N-pentyl-3-(2,4,6-trimethylanilino)propanamide
CID 109032138
3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide
CID 113132410
3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide
CID 113133885
3-(N-acetyl-4-bromo-2-methylanilino)-N-butylpropanamide
CID 113132728
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide
CID 113128256
N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30269796
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113130349
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113142058
3-(3,5-dimethylanilino)-N-pentylpropanamide
CID 109032129

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide?
The IUPAC name of 3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide (CID 113126035) is 3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide is CCCCCNC(=O)CCN(C(C)=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide?
The InChIKey is RPUIFVVFRCODQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-6-7-8-10-20-18(23)9-11-21(17(5)22)19-15(3)12-14(2)13-16(19)4/h12-13H,6-11H2,1-5H3,(H,20,23).
What are the key properties of 3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide?
3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide has a molecular weight of 318.46 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide is sourced from PubChem (CID 113126035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).