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

C22H21NO2 — CID 117087730

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C22H21NO2/c1-25-21-12-10-17(11-13-21)14-15-23-22(24)20-9-5-8-19(16-20)18-6-3-2-4-7-18/h2-13,16H,14-15H2,1H3,(H,23,24)
InChIKeyOLPUBRZXOMLHJM-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.33
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide (PubChem CID 117087730) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
PubChem CID117087730
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C22H21NO2/c1-25-21-12-10-17(11-13-21)14-15-23-22(24)20-9-5-8-19(16-20)18-6-3-2-4-7-18/h2-13,16H,14-15H2,1H3,(H,23,24)
InChIKeyOLPUBRZXOMLHJM-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 11803959
3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 141386769
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054965
3-(4-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 3810296
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055517
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
1-N-[2-(4-fluorophenyl)ethyl]-3-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055448
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide (CID 117087730) is N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide is COc1ccc(CCNC(=O)c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide?
The InChIKey is OLPUBRZXOMLHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-25-21-12-10-17(11-13-21)14-15-23-22(24)20-9-5-8-19(16-20)18-6-3-2-4-7-18/h2-13,16H,14-15H2,1H3,(H,23,24).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide?
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide has a molecular weight of 331.42 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide is sourced from PubChem (CID 117087730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).