N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide

C23H23NO2 — CID 891641

IUPACN-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
SMILESCOc1ccc([C@@H](NC(=O)CCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-26-21-15-13-20(14-16-21)23(19-10-6-3-7-11-19)24-22(25)17-12-18-8-4-2-5-9-18/h2-11,13-16,23H,12,17H2,1H3,(H,24,25)/t23-/m0/s1
InChIKeyWKDPAUGQBBETNR-QHCPKHFHSA-N
MW345.44 g/mol
LogP4.53
Rot. Bonds7

About N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide

N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide (PubChem CID 891641) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
PubChem CID891641
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC NameN-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
SMILESCOc1ccc([C@@H](NC(=O)CCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-26-21-15-13-20(14-16-21)23(19-10-6-3-7-11-19)24-22(25)17-12-18-8-4-2-5-9-18/h2-11,13-16,23H,12,17H2,1H3,(H,24,25)/t23-/m0/s1
InChIKeyWKDPAUGQBBETNR-QHCPKHFHSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 8854024
3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid
CID 45436465
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide
CID 985952
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41486489
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 110204562
3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218911
4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201187

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide?
The IUPAC name of N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide (CID 891641) is N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide?
The canonical SMILES for N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide is COc1ccc([C@@H](NC(=O)CCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide?
The InChIKey is WKDPAUGQBBETNR-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23NO2/c1-26-21-15-13-20(14-16-21)23(19-10-6-3-7-11-19)24-22(25)17-12-18-8-4-2-5-9-18/h2-11,13-16,23H,12,17H2,1H3,(H,24,25)/t23-/m0/s1.
What are the key properties of N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide?
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide has a molecular weight of 345.44 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide is sourced from PubChem (CID 891641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).