N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide

C16H26N2O4 — CID 109006089

IUPACN-pentyl-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCCCCCNC(=O)CNc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H26N2O4/c1-5-6-7-8-17-15(19)11-18-12-9-13(20-2)16(22-4)14(10-12)21-3/h9-10,18H,5-8,11H2,1-4H3,(H,17,19)
InChIKeyKZSJEYDZDOYFGZ-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.43
Rot. Bonds10

About N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide

N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide (PubChem CID 109006089) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-pentyl-2-(3,4,5-trimethoxyanilino)acetamide
PubChem CID109006089
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN-pentyl-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCCCCCNC(=O)CNc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H26N2O4/c1-5-6-7-8-17-15(19)11-18-12-9-13(20-2)16(22-4)14(10-12)21-3/h9-10,18H,5-8,11H2,1-4H3,(H,17,19)
InChIKeyKZSJEYDZDOYFGZ-UHFFFAOYSA-N
XLogP2.43
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-(3,4,5-trimethoxyanilino)propanamide
CID 109012336
1-pentyl-3-(3,4,5-trimethoxyphenyl)urea
CID 51290149
N-hexyl-3,4,5-trimethoxyaniline
CID 28876878
N-butyl-2-(3,5-dimethoxyanilino)acetamide
CID 32913276
2-(4-bromo-3-methoxyanilino)-N-butylacetamide
CID 79493403
2-(2,5-dimethoxyanilino)-N-hexadecylacetamide
CID 54814998
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
1-butyl-3-(3,4,5-trimethoxyphenyl)urea
CID 47103391
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide
CID 113179147
N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108940751
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362409
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide?
The IUPAC name of N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide (CID 109006089) is N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide.
What is the SMILES notation for N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide?
The canonical SMILES for N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide is CCCCCNC(=O)CNc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide?
The InChIKey is KZSJEYDZDOYFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-5-6-7-8-17-15(19)11-18-12-9-13(20-2)16(22-4)14(10-12)21-3/h9-10,18H,5-8,11H2,1-4H3,(H,17,19).
What are the key properties of N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide?
N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide has a molecular weight of 310.39 g/mol, XLogP of 2.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide is sourced from PubChem (CID 109006089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).