N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide

C23H23NO3 — CID 66612389

IUPACN-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide
SMILESCc1ccc(C(NC(=O)COc2ccccc2)c2ccc(CO)cc2)cc1
InChIInChI=1S/C23H23NO3/c1-17-7-11-19(12-8-17)23(20-13-9-18(15-25)10-14-20)24-22(26)16-27-21-5-3-2-4-6-21/h2-14,23,25H,15-16H2,1H3,(H,24,26)
InChIKeyZELXHANGZPMHID-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.77
Rot. Bonds7

About N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide

N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide (PubChem CID 66612389) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide
PubChem CID66612389
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC NameN-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide
SMILESCc1ccc(C(NC(=O)COc2ccccc2)c2ccc(CO)cc2)cc1
InChIInChI=1S/C23H23NO3/c1-17-7-11-19(12-8-17)23(20-13-9-18(15-25)10-14-20)24-22(26)16-27-21-5-3-2-4-6-21/h2-14,23,25H,15-16H2,1H3,(H,24,26)
InChIKeyZELXHANGZPMHID-UHFFFAOYSA-N
XLogP3.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 99950620
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132762003
2-(4-acetamidophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 7379493
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide
CID 9012238
(3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid
CID 9429721
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182
2-(2-ethoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 8798273
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315
2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43926563
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide
CID 20897097
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92679394

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide (CID 66612389) is N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide is Cc1ccc(C(NC(=O)COc2ccccc2)c2ccc(CO)cc2)cc1.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide?
The InChIKey is ZELXHANGZPMHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-17-7-11-19(12-8-17)23(20-13-9-18(15-25)10-14-20)24-22(26)16-27-21-5-3-2-4-6-21/h2-14,23,25H,15-16H2,1H3,(H,24,26).
What are the key properties of N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide?
N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide has a molecular weight of 361.44 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 66612389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).