N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide

C18H21NO3 — CID 2569863

IUPACN-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
SMILESCOc1ccc(CNC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-21-16-11-9-15(10-12-16)14-19-18(20)8-5-13-22-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,19,20)
InChIKeyCGPOKTJFBNVSAM-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.17
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide

N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide (PubChem CID 2569863) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
PubChem CID2569863
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
SMILESCOc1ccc(CNC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-21-16-11-9-15(10-12-16)14-19-18(20)8-5-13-22-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,19,20)
InChIKeyCGPOKTJFBNVSAM-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
4-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247341
4-[(4-phenoxybutanoylamino)methyl]benzamide
CID 51152240
4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
CID 18139589
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797883
N-benzyl-4-(4-methylsulfonylphenoxy)butanamide
CID 51096243
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide
CID 110285273
N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide
CID 48502857
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide (CID 2569863) is N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide is COc1ccc(CNC(=O)CCCOc2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide?
The InChIKey is CGPOKTJFBNVSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-16-11-9-15(10-12-16)14-19-18(20)8-5-13-22-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,19,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide?
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide has a molecular weight of 299.37 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide is sourced from PubChem (CID 2569863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).