N-[2-[3,4-bis(hydroxymethyl)phenoxy]ethyl]-2-cyclopentylacetamide

C17H25NO4 — CID 121353408

IUPACN-[2-[3,4-bis(hydroxymethyl)phenoxy]ethyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCCOc1ccc(CO)c(CO)c1
InChIInChI=1S/C17H25NO4/c19-11-14-5-6-16(10-15(14)12-20)22-8-7-18-17(21)9-13-3-1-2-4-13/h5-6,10,13,19-20H,1-4,7-9,11-12H2,(H,18,21)
InChIKeyYSYFMIAVNFRONG-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.75
Rot. Bonds8

About N-[2-[3,4-bis(hydroxymethyl)phenoxy]ethyl]-2-cyclopentylacetamide

N-[2-[3,4-bis(hydroxymethyl)phenoxy]ethyl]-2-cyclopentylacetamide (PubChem CID 121353408) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[2-[3,4-bis(hydroxymethyl)phenoxy]ethyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(hydroxymethyl)phenoxy]ethyl]-2-cyclopentylacetamide
PubChem CID121353408
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC NameN-[2-[3,4-bis(hydroxymethyl)phenoxy]ethyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCCOc1ccc(CO)c(CO)c1
InChIInChI=1S/C17H25NO4/c19-11-14-5-6-16(10-15(14)12-20)22-8-7-18-17(21)9-13-3-1-2-4-13/h5-6,10,13,19-20H,1-4,7-9,11-12H2,(H,18,21)
InChIKeyYSYFMIAVNFRONG-UHFFFAOYSA-N
XLogP1.75
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide
CID 114457049
2-cyclopentyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 60538479
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-cyclopentylacetate
CID 9202945
2-cyclopentyl-N-[4-(2-hydroxyethoxy)phenyl]acetamide
CID 111116192
N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119778380
N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide
CID 156687030
N-(3-butoxypropyl)-2-cyclopentylacetamide
CID 78785153
2-(azetidin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 64609991
N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine
CID 62571201
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride
CID 119746386
N-(4-butoxyphenyl)-2-cyclopentylacetamide
CID 54786143
2-cyclopentyl-N-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]acetamide
CID 98231617

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis(hydroxymethyl)phenoxy]ethyl]-2-cyclopentylacetamide?
The IUPAC name of N-[2-[3,4-bis(hydroxymethyl)phenoxy]ethyl]-2-cyclopentylacetamide (CID 121353408) is N-[2-[3,4-bis(hydroxymethyl)phenoxy]ethyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[2-[3,4-bis(hydroxymethyl)phenoxy]ethyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[2-[3,4-bis(hydroxymethyl)phenoxy]ethyl]-2-cyclopentylacetamide is O=C(CC1CCCC1)NCCOc1ccc(CO)c(CO)c1.
What is the InChIKey of N-[2-[3,4-bis(hydroxymethyl)phenoxy]ethyl]-2-cyclopentylacetamide?
The InChIKey is YSYFMIAVNFRONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c19-11-14-5-6-16(10-15(14)12-20)22-8-7-18-17(21)9-13-3-1-2-4-13/h5-6,10,13,19-20H,1-4,7-9,11-12H2,(H,18,21).
What are the key properties of N-[2-[3,4-bis(hydroxymethyl)phenoxy]ethyl]-2-cyclopentylacetamide?
N-[2-[3,4-bis(hydroxymethyl)phenoxy]ethyl]-2-cyclopentylacetamide has a molecular weight of 307.39 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-bis(hydroxymethyl)phenoxy]ethyl]-2-cyclopentylacetamide is sourced from PubChem (CID 121353408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).