N-[[4-(ethoxymethyl)phenyl]methyl]-5-methoxypentanamide

C16H25NO3 — CID 156819501

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-5-methoxypentanamide
SMILESCCOCc1ccc(CNC(=O)CCCCOC)cc1
InChIInChI=1S/C16H25NO3/c1-3-20-13-15-9-7-14(8-10-15)12-17-16(18)6-4-5-11-19-2/h7-10H,3-6,11-13H2,1-2H3,(H,17,18)
InChIKeyZBABCEZQVIYHRV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.66
Rot. Bonds10

About N-[[4-(ethoxymethyl)phenyl]methyl]-5-methoxypentanamide

N-[[4-(ethoxymethyl)phenyl]methyl]-5-methoxypentanamide (PubChem CID 156819501) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-5-methoxypentanamide.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-5-methoxypentanamide
PubChem CID156819501
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-5-methoxypentanamide
SMILESCCOCc1ccc(CNC(=O)CCCCOC)cc1
InChIInChI=1S/C16H25NO3/c1-3-20-13-15-9-7-14(8-10-15)12-17-16(18)6-4-5-11-19-2/h7-10H,3-6,11-13H2,1-2H3,(H,17,18)
InChIKeyZBABCEZQVIYHRV-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.66
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

tert-butyl N-[3-[[4-(ethoxymethyl)phenyl]methylamino]-3-oxopropyl]carbamate
CID 37358112
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide
CID 86872246
13-methyl-N-[[4-(2-methylpropoxymethyl)phenyl]methyl]-12-oxotetradecanamide
CID 169317139
N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide
CID 37358180
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 37358087
N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
CID 46598045
2-(2-bromo-4,5-diethoxyphenyl)-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
CID 46598081
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 37358196

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-5-methoxypentanamide?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-5-methoxypentanamide (CID 156819501) is N-[[4-(ethoxymethyl)phenyl]methyl]-5-methoxypentanamide.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-5-methoxypentanamide?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-5-methoxypentanamide is CCOCc1ccc(CNC(=O)CCCCOC)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-5-methoxypentanamide?
The InChIKey is ZBABCEZQVIYHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-20-13-15-9-7-14(8-10-15)12-17-16(18)6-4-5-11-19-2/h7-10H,3-6,11-13H2,1-2H3,(H,17,18).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-5-methoxypentanamide?
N-[[4-(ethoxymethyl)phenyl]methyl]-5-methoxypentanamide has a molecular weight of 279.38 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-5-methoxypentanamide is sourced from PubChem (CID 156819501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).