2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide

C18H30N2O2 — CID 78820994

IUPAC2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
SMILESCCCCCCN(CCC)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C18H30N2O2/c1-4-6-7-10-14-20(13-5-2)15-18(21)19-16-11-8-9-12-17(16)22-3/h8-9,11-12H,4-7,10,13-15H2,1-3H3,(H,19,21)
InChIKeyFURGURSJNBWLDN-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.93
Rot. Bonds11

About 2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide

2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide (PubChem CID 78820994) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
PubChem CID78820994
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
SMILESCCCCCCN(CCC)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C18H30N2O2/c1-4-6-7-10-14-20(13-5-2)15-18(21)19-16-11-8-9-12-17(16)22-3/h8-9,11-12H,4-7,10,13-15H2,1-3H3,(H,19,21)
InChIKeyFURGURSJNBWLDN-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.93
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

2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138
N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
CID 27239631
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 119267704
2-[2-methoxyethyl(3-phenylpropyl)amino]-N-(2-methoxyphenyl)acetamide
CID 86860860
2-(dipropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818625
N-(2-methoxyphenyl)-2-[propyl-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]amino]acetamide
CID 9243894
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9168823
N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168519
2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid
CID 15949326

Frequently Asked Questions

What is the IUPAC name of 2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide (CID 78820994) is 2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide is CCCCCCN(CCC)CC(=O)Nc1ccccc1OC.
What is the InChIKey of 2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is FURGURSJNBWLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-6-7-10-14-20(13-5-2)15-18(21)19-16-11-8-9-12-17(16)22-3/h8-9,11-12H,4-7,10,13-15H2,1-3H3,(H,19,21).
What are the key properties of 2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide?
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 306.45 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 78820994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).