N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enyl]hexanamide

C21H32N2O3 — CID 70059025

IUPACN-[1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enyl]hexanamide
SMILESC=CC(NC(=O)CCCCC)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C21H32N2O3/c1-3-5-6-7-21(24)22-20(4-2)18-8-10-19(11-9-18)26-17-14-23-12-15-25-16-13-23/h4,8-11,20H,2-3,5-7,12-17H2,1H3,(H,22,24)
InChIKeyJWGUELWUPAVOMK-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.32
Rot. Bonds11

About N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enyl]hexanamide

N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enyl]hexanamide (PubChem CID 70059025) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enyl]hexanamide.

Molecular Properties

Compound NameN-[1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enyl]hexanamide
PubChem CID70059025
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enyl]hexanamide
SMILESC=CC(NC(=O)CCCCC)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C21H32N2O3/c1-3-5-6-7-21(24)22-20(4-2)18-8-10-19(11-9-18)26-17-14-23-12-15-25-16-13-23/h4,8-11,20H,2-3,5-7,12-17H2,1H3,(H,22,24)
InChIKeyJWGUELWUPAVOMK-UHFFFAOYSA-N
XLogP3.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 82073802
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
CID 3087060
N-(2-morpholin-4-ylethoxy)hexanamide
CID 87298881
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 60888208
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714
2-morpholin-4-ylethyl octanoate
CID 23118480
methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 89092566
4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine
CID 123489921

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enyl]hexanamide?
The IUPAC name of N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enyl]hexanamide (CID 70059025) is N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enyl]hexanamide.
What is the SMILES notation for N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enyl]hexanamide?
The canonical SMILES for N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enyl]hexanamide is C=CC(NC(=O)CCCCC)c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enyl]hexanamide?
The InChIKey is JWGUELWUPAVOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-3-5-6-7-21(24)22-20(4-2)18-8-10-19(11-9-18)26-17-14-23-12-15-25-16-13-23/h4,8-11,20H,2-3,5-7,12-17H2,1H3,(H,22,24).
What are the key properties of N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enyl]hexanamide?
N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enyl]hexanamide has a molecular weight of 360.50 g/mol, XLogP of 3.32, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enyl]hexanamide is sourced from PubChem (CID 70059025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).