N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]acetamide

C19H29NO4 — CID 86202865

IUPACN-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCCCCOCC2(C)COC2)cc1
InChIInChI=1S/C19H29NO4/c1-16(21)20-17-7-9-18(10-8-17)24-12-6-4-3-5-11-22-13-19(2)14-23-15-19/h7-10H,3-6,11-15H2,1-2H3,(H,20,21)
InChIKeyMWHZYJOQMWLFBP-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.64
Rot. Bonds11

About N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]acetamide

N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]acetamide (PubChem CID 86202865) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]acetamide
PubChem CID86202865
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC NameN-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCCCCOCC2(C)COC2)cc1
InChIInChI=1S/C19H29NO4/c1-16(21)20-17-7-9-18(10-8-17)24-12-6-4-3-5-11-22-13-19(2)14-23-15-19/h7-10H,3-6,11-15H2,1-2H3,(H,20,21)
InChIKeyMWHZYJOQMWLFBP-UHFFFAOYSA-N
XLogP3.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-phenylaniline
CID 163472933
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
[4-(trifluoromethoxy)phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate
CID 59767559
[4-[(4-hexoxyphenyl)diazenyl]phenyl] 6-[(3-methyloxetan-3-yl)methoxy]hexanoate
CID 101089380
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126491954
2-(4-acetamidophenoxy)ethyl nitrate;5-(4-acetamidophenoxy)pentyl nitrate
CID 159029976
methyl 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate
CID 59197240
[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate
CID 59741740
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
CID 88988357
CID 88988357
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]acetamide?
The IUPAC name of N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]acetamide (CID 86202865) is N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCCCCCCOCC2(C)COC2)cc1.
What is the InChIKey of N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]acetamide?
The InChIKey is MWHZYJOQMWLFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-16(21)20-17-7-9-18(10-8-17)24-12-6-4-3-5-11-22-13-19(2)14-23-15-19/h7-10H,3-6,11-15H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]acetamide?
N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]acetamide has a molecular weight of 335.44 g/mol, XLogP of 3.64, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]acetamide is sourced from PubChem (CID 86202865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).