N-pentyl-3-(2,4,6-trimethylanilino)propanamide

C17H28N2O — CID 109032138

IUPACN-pentyl-3-(2,4,6-trimethylanilino)propanamide
SMILESCCCCCNC(=O)CCNc1c(C)cc(C)cc1C
InChIInChI=1S/C17H28N2O/c1-5-6-7-9-18-16(20)8-10-19-17-14(3)11-13(2)12-15(17)4/h11-12,19H,5-10H2,1-4H3,(H,18,20)
InChIKeyCIZIJTHVSPTXQE-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.72
Rot. Bonds8

About N-pentyl-3-(2,4,6-trimethylanilino)propanamide

N-pentyl-3-(2,4,6-trimethylanilino)propanamide (PubChem CID 109032138) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-pentyl-3-(2,4,6-trimethylanilino)propanamide.

Molecular Properties

Compound NameN-pentyl-3-(2,4,6-trimethylanilino)propanamide
PubChem CID109032138
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-pentyl-3-(2,4,6-trimethylanilino)propanamide
SMILESCCCCCNC(=O)CCNc1c(C)cc(C)cc1C
InChIInChI=1S/C17H28N2O/c1-5-6-7-9-18-16(20)8-10-19-17-14(3)11-13(2)12-15(17)4/h11-12,19H,5-10H2,1-4H3,(H,18,20)
InChIKeyCIZIJTHVSPTXQE-UHFFFAOYSA-N
XLogP3.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethylanilino)-N-pentylpropanamide
CID 109032129
N-(2-methoxyethyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109015060
3-(4-methylanilino)-N-pentylpropanamide
CID 109032122
3-(5-chloro-2-methylanilino)-N-pentylpropanamide
CID 109032149
3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide
CID 113126035
3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016959
N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide
CID 3100446
N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide
CID 109024994
N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide
CID 109012984
N-butyl-3-(2-ethyl-6-methylanilino)propanamide
CID 109012269
3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide
CID 62324200
3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016268

Frequently Asked Questions

What is the IUPAC name of N-pentyl-3-(2,4,6-trimethylanilino)propanamide?
The IUPAC name of N-pentyl-3-(2,4,6-trimethylanilino)propanamide (CID 109032138) is N-pentyl-3-(2,4,6-trimethylanilino)propanamide.
What is the SMILES notation for N-pentyl-3-(2,4,6-trimethylanilino)propanamide?
The canonical SMILES for N-pentyl-3-(2,4,6-trimethylanilino)propanamide is CCCCCNC(=O)CCNc1c(C)cc(C)cc1C.
What is the InChIKey of N-pentyl-3-(2,4,6-trimethylanilino)propanamide?
The InChIKey is CIZIJTHVSPTXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-6-7-9-18-16(20)8-10-19-17-14(3)11-13(2)12-15(17)4/h11-12,19H,5-10H2,1-4H3,(H,18,20).
What are the key properties of N-pentyl-3-(2,4,6-trimethylanilino)propanamide?
N-pentyl-3-(2,4,6-trimethylanilino)propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-3-(2,4,6-trimethylanilino)propanamide is sourced from PubChem (CID 109032138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).