2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide

C31H31NO4 — CID 564164

IUPAC2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)Cc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c1
InChIInChI=1S/C31H31NO4/c1-34-28-14-8-13-24(17-28)15-16-32-31(33)20-27-18-29(35-22-25-9-4-2-5-10-25)21-30(19-27)36-23-26-11-6-3-7-12-26/h2-14,17-19,21H,15-16,20,22-23H2,1H3,(H,32,33)
InChIKeyIGSKNFHPTPNEGL-UHFFFAOYSA-N
MW481.59 g/mol
LogP5.75
Rot. Bonds12

About 2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide

2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 564164) has the molecular formula C31H31NO4 and a molecular weight of 481.59 g/mol. Its IUPAC name is 2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID564164
Molecular FormulaC31H31NO4
Molecular Weight481.59 g/mol
Exact Mass481.23
IUPAC Name2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)Cc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c1
InChIInChI=1S/C31H31NO4/c1-34-28-14-8-13-24(17-28)15-16-32-31(33)20-27-18-29(35-22-25-9-4-2-5-10-25)21-30(19-27)36-23-26-11-6-3-7-12-26/h2-14,17-19,21H,15-16,20,22-23H2,1H3,(H,32,33)
InChIKeyIGSKNFHPTPNEGL-UHFFFAOYSA-N
XLogP5.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.59
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973
N-[2-(4-hydroxyphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 61017914
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
N-[2-(3-phenylmethoxyphenyl)ethyl]pentanamide
CID 11823080
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167899
4-[2-[3-[2-(3-methoxyphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22685572
2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide
CID 159272620
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
N-[2-(3-methoxyphenyl)ethyl]-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 25386620

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 564164) is 2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)Cc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c1.
What is the InChIKey of 2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is IGSKNFHPTPNEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO4/c1-34-28-14-8-13-24(17-28)15-16-32-31(33)20-27-18-29(35-22-25-9-4-2-5-10-25)21-30(19-27)36-23-26-11-6-3-7-12-26/h2-14,17-19,21H,15-16,20,22-23H2,1H3,(H,32,33).
What are the key properties of 2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 481.59 g/mol, XLogP of 5.75, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 564164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).