N-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide

C20H25NO4 — CID 2650216

IUPACN-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCCCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H25NO4/c1-23-17-12-16(13-18(24-2)20(17)25-3)14-19(22)21-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,21,22)
InChIKeySFAYKMYCVQGGML-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.00
Rot. Bonds9

About N-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 2650216) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID2650216
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCCCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H25NO4/c1-23-17-12-16(13-18(24-2)20(17)25-3)14-19(22)21-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,21,22)
InChIKeySFAYKMYCVQGGML-UHFFFAOYSA-N
XLogP3.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 2650216) is N-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NCCCc2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is SFAYKMYCVQGGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-23-17-12-16(13-18(24-2)20(17)25-3)14-19(22)21-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,21,22).
What are the key properties of N-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 343.42 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 2650216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).