N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide

C14H21NO2 — CID 110788746

IUPACN-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1ccc(OC)c(CC)c1
InChIInChI=1S/C14H21NO2/c1-4-12-10-11(6-7-13(12)17-3)8-9-15-14(16)5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyCMPDXAUNBUNJGO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.33
Rot. Bonds6

About N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide

N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide (PubChem CID 110788746) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide
PubChem CID110788746
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1ccc(OC)c(CC)c1
InChIInChI=1S/C14H21NO2/c1-4-12-10-11(6-7-13(12)17-3)8-9-15-14(16)5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyCMPDXAUNBUNJGO-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-2-hydroxypropanamide
CID 115180756
methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate
CID 110788778
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamoyl chloride
CID 115194910
4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217777
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
1-acetyl-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110795515
2-(3-ethyl-4-methoxyphenyl)-N'-methylacetohydrazide
CID 116846195
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821
2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide
CID 82110100
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide (CID 110788746) is N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide is CCC(=O)NCCc1ccc(OC)c(CC)c1.
What is the InChIKey of N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide?
The InChIKey is CMPDXAUNBUNJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-12-10-11(6-7-13(12)17-3)8-9-15-14(16)5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide?
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide has a molecular weight of 235.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 110788746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).