6-[[2-[[4-(hydroxymethyl)phenyl]methoxy]acetyl]amino]-N-(3-phenylphenyl)hexanamide

C28H32N2O4 — CID 11952976

IUPAC6-[[2-[[4-(hydroxymethyl)phenyl]methoxy]acetyl]amino]-N-(3-phenylphenyl)hexanamide
SMILESO=C(COCc1ccc(CO)cc1)NCCCCCC(=O)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C28H32N2O4/c31-19-22-13-15-23(16-14-22)20-34-21-28(33)29-17-6-2-5-12-27(32)30-26-11-7-10-25(18-26)24-8-3-1-4-9-24/h1,3-4,7-11,13-16,18,31H,2,5-6,12,17,19-21H2,(H,29,33)(H,30,32)
InChIKeyLTXJASGMLVETNB-UHFFFAOYSA-N
MW460.57 g/mol
LogP4.68
Rot. Bonds13

About 6-[[2-[[4-(hydroxymethyl)phenyl]methoxy]acetyl]amino]-N-(3-phenylphenyl)hexanamide

6-[[2-[[4-(hydroxymethyl)phenyl]methoxy]acetyl]amino]-N-(3-phenylphenyl)hexanamide (PubChem CID 11952976) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is 6-[[2-[[4-(hydroxymethyl)phenyl]methoxy]acetyl]amino]-N-(3-phenylphenyl)hexanamide.

Molecular Properties

Compound Name6-[[2-[[4-(hydroxymethyl)phenyl]methoxy]acetyl]amino]-N-(3-phenylphenyl)hexanamide
PubChem CID11952976
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Name6-[[2-[[4-(hydroxymethyl)phenyl]methoxy]acetyl]amino]-N-(3-phenylphenyl)hexanamide
SMILESO=C(COCc1ccc(CO)cc1)NCCCCCC(=O)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C28H32N2O4/c31-19-22-13-15-23(16-14-22)20-34-21-28(33)29-17-6-2-5-12-27(32)30-26-11-7-10-25(18-26)24-8-3-1-4-9-24/h1,3-4,7-11,13-16,18,31H,2,5-6,12,17,19-21H2,(H,29,33)(H,30,32)
InChIKeyLTXJASGMLVETNB-UHFFFAOYSA-N
XLogP4.68
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[2-(furan-3-ylmethoxy)acetyl]amino]-N-(3-phenylphenyl)hexanamide
CID 11953017
CID 58756744
CID 58756744
2-[2-oxo-2-[[6-oxo-6-(3-phenylanilino)hexyl]amino]ethyl]sulfinylacetic acid
CID 11952973
6-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-N-(3-phenylphenyl)hexanamide
CID 69386598
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxyacetamide
CID 64795067
6-[[2-(4-aminophenyl)sulfanylacetyl]amino]-N-(3-phenylphenyl)hexanamide
CID 69384583
N-(3-phenylphenyl)-5-(sulfamoylamino)pentanamide
CID 44591286
4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 43239307
benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate
CID 67456713
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
methyl 2-hydroxy-3-[2-oxo-2-[[6-oxo-6-(3-phenylanilino)hexyl]amino]ethyl]sulfanylpropanoate;6-[[2-[(4-methylsulfanylphenyl)methylsulfanyl]acetyl]amino]-N-(3-phenylphenyl)hexanamide
CID 162187442
N-butyl-2-phenylmethoxyacetamide
CID 126717674

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[[4-(hydroxymethyl)phenyl]methoxy]acetyl]amino]-N-(3-phenylphenyl)hexanamide?
The IUPAC name of 6-[[2-[[4-(hydroxymethyl)phenyl]methoxy]acetyl]amino]-N-(3-phenylphenyl)hexanamide (CID 11952976) is 6-[[2-[[4-(hydroxymethyl)phenyl]methoxy]acetyl]amino]-N-(3-phenylphenyl)hexanamide.
What is the SMILES notation for 6-[[2-[[4-(hydroxymethyl)phenyl]methoxy]acetyl]amino]-N-(3-phenylphenyl)hexanamide?
The canonical SMILES for 6-[[2-[[4-(hydroxymethyl)phenyl]methoxy]acetyl]amino]-N-(3-phenylphenyl)hexanamide is O=C(COCc1ccc(CO)cc1)NCCCCCC(=O)Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of 6-[[2-[[4-(hydroxymethyl)phenyl]methoxy]acetyl]amino]-N-(3-phenylphenyl)hexanamide?
The InChIKey is LTXJASGMLVETNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c31-19-22-13-15-23(16-14-22)20-34-21-28(33)29-17-6-2-5-12-27(32)30-26-11-7-10-25(18-26)24-8-3-1-4-9-24/h1,3-4,7-11,13-16,18,31H,2,5-6,12,17,19-21H2,(H,29,33)(H,30,32).
What are the key properties of 6-[[2-[[4-(hydroxymethyl)phenyl]methoxy]acetyl]amino]-N-(3-phenylphenyl)hexanamide?
6-[[2-[[4-(hydroxymethyl)phenyl]methoxy]acetyl]amino]-N-(3-phenylphenyl)hexanamide has a molecular weight of 460.57 g/mol, XLogP of 4.68, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[[4-(hydroxymethyl)phenyl]methoxy]acetyl]amino]-N-(3-phenylphenyl)hexanamide is sourced from PubChem (CID 11952976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).