N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide

C14H21NO4 — CID 606656

IUPACN-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-5-13(16)15-7-6-10-8-11(17-2)14(19-4)12(9-10)18-3/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyGXUSWVAPRDBKBL-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.78
Rot. Bonds7

About N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide

N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide (PubChem CID 606656) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide
PubChem CID606656
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-5-13(16)15-7-6-10-8-11(17-2)14(19-4)12(9-10)18-3/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyGXUSWVAPRDBKBL-UHFFFAOYSA-N
XLogP1.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide?
The IUPAC name of N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide (CID 606656) is N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide is CCC(=O)NCCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide?
The InChIKey is GXUSWVAPRDBKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-5-13(16)15-7-6-10-8-11(17-2)14(19-4)12(9-10)18-3/h8-9H,5-7H2,1-4H3,(H,15,16).
What are the key properties of N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide?
N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide has a molecular weight of 267.32 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 606656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).