N-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide

C20H31NO2 — CID 142221811

IUPACN-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide
SMILESCC(=O)NCCCOc1ccc(CC2CCCCCCC2)cc1
InChIInChI=1S/C20H31NO2/c1-17(22)21-14-7-15-23-20-12-10-19(11-13-20)16-18-8-5-3-2-4-6-9-18/h10-13,18H,2-9,14-16H2,1H3,(H,21,22)
InChIKeyJDXWNTXTEPRXAL-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.49
Rot. Bonds7

About N-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide

N-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide (PubChem CID 142221811) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is N-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide
PubChem CID142221811
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC NameN-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide
SMILESCC(=O)NCCCOc1ccc(CC2CCCCCCC2)cc1
InChIInChI=1S/C20H31NO2/c1-17(22)21-14-7-15-23-20-12-10-19(11-13-20)16-18-8-5-3-2-4-6-9-18/h10-13,18H,2-9,14-16H2,1H3,(H,21,22)
InChIKeyJDXWNTXTEPRXAL-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.49
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

N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
bis[4-(cyclohexylmethyl)phenyl] carbonate
CID 141347280
N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide
CID 70467709
N-[3-(4-formylphenoxy)propyl]acetamide
CID 82037091
N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride
CID 21421948
ethyl N-[2-[4-[[(1S,2R)-2-hydroxycyclohexyl]methyl]phenoxy]ethyl]carbamate
CID 10087425
N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide
CID 73253877
N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide
CID 114457049
N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide
CID 71342969
1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 130438477
2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide
CID 86866435

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide?
The IUPAC name of N-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide (CID 142221811) is N-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide.
What is the SMILES notation for N-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide?
The canonical SMILES for N-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide is CC(=O)NCCCOc1ccc(CC2CCCCCCC2)cc1.
What is the InChIKey of N-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide?
The InChIKey is JDXWNTXTEPRXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-17(22)21-14-7-15-23-20-12-10-19(11-13-20)16-18-8-5-3-2-4-6-9-18/h10-13,18H,2-9,14-16H2,1H3,(H,21,22).
What are the key properties of N-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide?
N-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide has a molecular weight of 317.47 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide is sourced from PubChem (CID 142221811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).