N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]-2-hydroxyoctadecanamide

C30H54N2O2 — CID 88729076

IUPACN-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]-2-hydroxyoctadecanamide
SMILESCCCCCCCCCCCCCCCCC(O)C(=O)NCCCc1ccccc1C(C)(C)N
InChIInChI=1S/C30H54N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-28(33)29(34)32-25-20-22-26-21-18-19-23-27(26)30(2,3)31/h18-19,21,23,28,33H,4-17,20,22,24-25,31H2,1-3H3,(H,32,34)
InChIKeyZRUSZKVEWNWYEW-UHFFFAOYSA-N
MW474.77 g/mol
LogP7.16
Rot. Bonds21

About N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]-2-hydroxyoctadecanamide

N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]-2-hydroxyoctadecanamide (PubChem CID 88729076) has the molecular formula C30H54N2O2 and a molecular weight of 474.77 g/mol. Its IUPAC name is N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]-2-hydroxyoctadecanamide.

Molecular Properties

Compound NameN-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]-2-hydroxyoctadecanamide
PubChem CID88729076
Molecular FormulaC30H54N2O2
Molecular Weight474.77 g/mol
Exact Mass474.42
IUPAC NameN-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]-2-hydroxyoctadecanamide
SMILESCCCCCCCCCCCCCCCCC(O)C(=O)NCCCc1ccccc1C(C)(C)N
InChIInChI=1S/C30H54N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-28(33)29(34)32-25-20-22-26-21-18-19-23-27(26)30(2,3)31/h18-19,21,23,28,33H,4-17,20,22,24-25,31H2,1-3H3,(H,32,34)
InChIKeyZRUSZKVEWNWYEW-UHFFFAOYSA-N
XLogP7.16
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.77
LogP ≤ 57.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-(3-hexadecyl-2-methylphenyl)propan-2-amine
CID 175123054
2-(2-docosylphenyl)tetracosan-2-amine
CID 89487184
methyl 4-[[(2R)-2-hydroxyoctanoyl]amino]butanoate
CID 129411650
1-(2-bromopropan-2-yl)-2-undecylbenzene
CID 166519006
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CID 141042240
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CID 173050627

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]-2-hydroxyoctadecanamide?
The IUPAC name of N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]-2-hydroxyoctadecanamide (CID 88729076) is N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]-2-hydroxyoctadecanamide.
What is the SMILES notation for N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]-2-hydroxyoctadecanamide?
The canonical SMILES for N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]-2-hydroxyoctadecanamide is CCCCCCCCCCCCCCCCC(O)C(=O)NCCCc1ccccc1C(C)(C)N.
What is the InChIKey of N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]-2-hydroxyoctadecanamide?
The InChIKey is ZRUSZKVEWNWYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-28(33)29(34)32-25-20-22-26-21-18-19-23-27(26)30(2,3)31/h18-19,21,23,28,33H,4-17,20,22,24-25,31H2,1-3H3,(H,32,34).
What are the key properties of N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]-2-hydroxyoctadecanamide?
N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]-2-hydroxyoctadecanamide has a molecular weight of 474.77 g/mol, XLogP of 7.16, 21 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]-2-hydroxyoctadecanamide is sourced from PubChem (CID 88729076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).