N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide

C18H21NO2 — CID 2877039

IUPACN-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-14(16-9-11-17(21-2)12-10-16)19-18(20)13-8-15-6-4-3-5-7-15/h3-7,9-12,14H,8,13H2,1-2H3,(H,19,20)
InChIKeyKAXRUIICQCRWFA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.51
Rot. Bonds6

About N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide

N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide (PubChem CID 2877039) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
PubChem CID2877039
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-14(16-9-11-17(21-2)12-10-16)19-18(20)13-8-15-6-4-3-5-7-15/h3-7,9-12,14H,8,13H2,1-2H3,(H,19,20)
InChIKeyKAXRUIICQCRWFA-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide (CID 2877039) is N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide is COc1ccc(C(C)NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide?
The InChIKey is KAXRUIICQCRWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(16-9-11-17(21-2)12-10-16)19-18(20)13-8-15-6-4-3-5-7-15/h3-7,9-12,14H,8,13H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide?
N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide has a molecular weight of 283.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 2877039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).