5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide

C21H27NO2 — CID 142735482

IUPAC5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide
SMILESCc1cc(C)c(NC(=O)CCCCOCc2ccccc2)c(C)c1
InChIInChI=1S/C21H27NO2/c1-16-13-17(2)21(18(3)14-16)22-20(23)11-7-8-12-24-15-19-9-5-4-6-10-19/h4-6,9-10,13-14H,7-8,11-12,15H2,1-3H3,(H,22,23)
InChIKeyWSLWWHNJCXZJKZ-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.94
Rot. Bonds8

About 5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide

5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide (PubChem CID 142735482) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide.

Molecular Properties

Compound Name5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide
PubChem CID142735482
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide
SMILESCc1cc(C)c(NC(=O)CCCCOCc2ccccc2)c(C)c1
InChIInChI=1S/C21H27NO2/c1-16-13-17(2)21(18(3)14-16)22-20(23)11-7-8-12-24-15-19-9-5-4-6-10-19/h4-6,9-10,13-14H,7-8,11-12,15H2,1-3H3,(H,22,23)
InChIKeyWSLWWHNJCXZJKZ-UHFFFAOYSA-N
XLogP4.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(4-phenylmethoxybutanoylamino)benzoic acid
CID 119240384
benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 78775976
(2Z)-2-ethylidene-6-phenylmethoxyhexanoic acid
CID 102373802
methyl 8-phenylmethoxyoctanoate
CID 562206
6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide
CID 11678584
tert-butyl 10-phenylmethoxy-3-(7-phenylmethoxyheptyl)dec-2-enoate
CID 177188889
methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate
CID 170714052
4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide
CID 78776242
N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide
CID 16784272
4-bromo-N-(2,4,6-trimethylphenyl)butanamide
CID 18423533
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide
CID 102329033
4-[(3-methylphenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)butanamide
CID 43000863

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide?
The IUPAC name of 5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide (CID 142735482) is 5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide.
What is the SMILES notation for 5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide?
The canonical SMILES for 5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide is Cc1cc(C)c(NC(=O)CCCCOCc2ccccc2)c(C)c1.
What is the InChIKey of 5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide?
The InChIKey is WSLWWHNJCXZJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-16-13-17(2)21(18(3)14-16)22-20(23)11-7-8-12-24-15-19-9-5-4-6-10-19/h4-6,9-10,13-14H,7-8,11-12,15H2,1-3H3,(H,22,23).
What are the key properties of 5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide?
5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide has a molecular weight of 325.45 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide is sourced from PubChem (CID 142735482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).