N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide

C22H21NO2 — CID 977346

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO2/c1-16(17-12-14-21(25-2)15-13-17)23-22(24)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-16H,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyBJQBGEHEKBMOAC-INIZCTEOSA-N
MW331.42 g/mol
LogP4.85
Rot. Bonds5

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide (PubChem CID 977346) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
PubChem CID977346
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO2/c1-16(17-12-14-21(25-2)15-13-17)23-22(24)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-16H,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyBJQBGEHEKBMOAC-INIZCTEOSA-N
XLogP4.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
3,5-dimethoxy-N-[(1R)-1-(4-phenylphenyl)ethyl]benzamide
CID 7948871
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
3-(4-methoxyphenyl)-4-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 20803221
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558127
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide (CID 977346) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide is COc1ccc([C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide?
The InChIKey is BJQBGEHEKBMOAC-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21NO2/c1-16(17-12-14-21(25-2)15-13-17)23-22(24)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-16H,1-2H3,(H,23,24)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide has a molecular weight of 331.42 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide is sourced from PubChem (CID 977346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).