N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide

C20H26N2O2 — CID 56586633

IUPACN-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NCCCNc2ccccc2)c(C)c1
InChIInChI=1S/C20H26N2O2/c1-15-12-16(2)20(17(3)13-15)24-14-19(23)22-11-7-10-21-18-8-5-4-6-9-18/h4-6,8-9,12-13,21H,7,10-11,14H2,1-3H3,(H,22,23)
InChIKeyVDRUEUVMAPSKTH-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.61
Rot. Bonds8

About N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide

N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 56586633) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID56586633
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NCCCNc2ccccc2)c(C)c1
InChIInChI=1S/C20H26N2O2/c1-15-12-16(2)20(17(3)13-15)24-14-19(23)22-11-7-10-21-18-8-5-4-6-9-18/h4-6,8-9,12-13,21H,7,10-11,14H2,1-3H3,(H,22,23)
InChIKeyVDRUEUVMAPSKTH-UHFFFAOYSA-N
XLogP3.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 112978152
3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 43092392
2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
CID 3463804
2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid
CID 107831855
N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide
CID 38448955
2-(2-amino-4,6-dimethylphenoxy)-N-phenylacetamide
CID 62056347
2-[2-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241879
N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 119548920
N-(2-amino-2-methylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 119628968
N-(3-anilinopropyl)-2-phenylacetamide
CID 102467435
N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide
CID 82335715
(2S)-2-hydroxy-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 107832946

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide (CID 56586633) is N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)NCCCNc2ccccc2)c(C)c1.
What is the InChIKey of N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is VDRUEUVMAPSKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-12-16(2)20(17(3)13-15)24-14-19(23)22-11-7-10-21-18-8-5-4-6-9-18/h4-6,8-9,12-13,21H,7,10-11,14H2,1-3H3,(H,22,23).
What are the key properties of N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide?
N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 56586633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).