N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide

C18H27NO3 — CID 110628016

IUPACN-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide
SMILESCOc1ccc(CCCCNC(=O)CC2CCCCO2)cc1
InChIInChI=1S/C18H27NO3/c1-21-16-10-8-15(9-11-16)6-2-4-12-19-18(20)14-17-7-3-5-13-22-17/h8-11,17H,2-7,12-14H2,1H3,(H,19,20)
InChIKeyHWZOTRRMFDKVME-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.09
Rot. Bonds8

About N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide

N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide (PubChem CID 110628016) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide
PubChem CID110628016
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide
SMILESCOc1ccc(CCCCNC(=O)CC2CCCCO2)cc1
InChIInChI=1S/C18H27NO3/c1-21-16-10-8-15(9-11-16)6-2-4-12-19-18(20)14-17-7-3-5-13-22-17/h8-11,17H,2-7,12-14H2,1H3,(H,19,20)
InChIKeyHWZOTRRMFDKVME-UHFFFAOYSA-N
XLogP3.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.09
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-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94484955
2-(oxan-2-yl)-N-pentylacetamide
CID 110415818
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide
CID 110621142
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(oxan-2-yl)acetamide
CID 110609197
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113117294
N-(2-methoxyethyl)-2-(oxan-2-yl)acetamide
CID 110407614
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-2-(oxan-2-yl)acetamide
CID 110624165
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2904909
N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149638
N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide
CID 110627806
N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide
CID 110622301
N-[2-(4-methoxyphenyl)ethyl]-2-[(5R)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135828349

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide (CID 110628016) is N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide is COc1ccc(CCCCNC(=O)CC2CCCCO2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide?
The InChIKey is HWZOTRRMFDKVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-21-16-10-8-15(9-11-16)6-2-4-12-19-18(20)14-17-7-3-5-13-22-17/h8-11,17H,2-7,12-14H2,1H3,(H,19,20).
What are the key properties of N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide?
N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 110628016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).