N-[3-(3-methoxyphenyl)-3-naphthalen-2-ylpropyl]acetamide

C22H23NO2 — CID 44581851

IUPACN-[3-(3-methoxyphenyl)-3-naphthalen-2-ylpropyl]acetamide
SMILESCOc1cccc(C(CCNC(C)=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H23NO2/c1-16(24)23-13-12-22(19-8-5-9-21(15-19)25-2)20-11-10-17-6-3-4-7-18(17)14-20/h3-11,14-15,22H,12-13H2,1-2H3,(H,23,24)
InChIKeySTRTVMNXHOJRMX-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.51
Rot. Bonds6

About N-[3-(3-methoxyphenyl)-3-naphthalen-2-ylpropyl]acetamide

N-[3-(3-methoxyphenyl)-3-naphthalen-2-ylpropyl]acetamide (PubChem CID 44581851) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)-3-naphthalen-2-ylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)-3-naphthalen-2-ylpropyl]acetamide
PubChem CID44581851
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-[3-(3-methoxyphenyl)-3-naphthalen-2-ylpropyl]acetamide
SMILESCOc1cccc(C(CCNC(C)=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H23NO2/c1-16(24)23-13-12-22(19-8-5-9-21(15-19)25-2)20-11-10-17-6-3-4-7-18(17)14-20/h3-11,14-15,22H,12-13H2,1-2H3,(H,23,24)
InChIKeySTRTVMNXHOJRMX-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)-3-naphthalen-2-ylpropyl]acetamide?
The IUPAC name of N-[3-(3-methoxyphenyl)-3-naphthalen-2-ylpropyl]acetamide (CID 44581851) is N-[3-(3-methoxyphenyl)-3-naphthalen-2-ylpropyl]acetamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)-3-naphthalen-2-ylpropyl]acetamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)-3-naphthalen-2-ylpropyl]acetamide is COc1cccc(C(CCNC(C)=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)-3-naphthalen-2-ylpropyl]acetamide?
The InChIKey is STRTVMNXHOJRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-16(24)23-13-12-22(19-8-5-9-21(15-19)25-2)20-11-10-17-6-3-4-7-18(17)14-20/h3-11,14-15,22H,12-13H2,1-2H3,(H,23,24).
What are the key properties of N-[3-(3-methoxyphenyl)-3-naphthalen-2-ylpropyl]acetamide?
N-[3-(3-methoxyphenyl)-3-naphthalen-2-ylpropyl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)-3-naphthalen-2-ylpropyl]acetamide is sourced from PubChem (CID 44581851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).