N-[2-(4-nonylphenoxy)ethyl]prop-2-enamide

C20H31NO2 — CID 134245011

IUPACN-[2-(4-nonylphenoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOc1ccc(CCCCCCCCC)cc1
InChIInChI=1S/C20H31NO2/c1-3-5-6-7-8-9-10-11-18-12-14-19(15-13-18)23-17-16-21-20(22)4-2/h4,12-15H,2-3,5-11,16-17H2,1H3,(H,21,22)
InChIKeyHHMRCJZOHUSSEI-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.66
Rot. Bonds13

About N-[2-(4-nonylphenoxy)ethyl]prop-2-enamide

N-[2-(4-nonylphenoxy)ethyl]prop-2-enamide (PubChem CID 134245011) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is N-[2-(4-nonylphenoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-nonylphenoxy)ethyl]prop-2-enamide
PubChem CID134245011
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC NameN-[2-(4-nonylphenoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOc1ccc(CCCCCCCCC)cc1
InChIInChI=1S/C20H31NO2/c1-3-5-6-7-8-9-10-11-18-12-14-19(15-13-18)23-17-16-21-20(22)4-2/h4,12-15H,2-3,5-11,16-17H2,1H3,(H,21,22)
InChIKeyHHMRCJZOHUSSEI-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-(4-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 100992588
1-hexoxy-4-pentylbenzene
CID 54277450
2-[2-(4-pentylphenoxy)ethylamino]acetamide
CID 58097092
7-(4-hexylphenoxy)heptanoic acid
CID 54502336
4-(4-nonylphenoxy)butanoate
CID 22965467
3-[[4-[7-(4-pentylphenoxy)heptyl]benzoyl]amino]propanoic acid
CID 67486020
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-octylbenzoate
CID 118216311
[4-(4-octylphenyl)phenyl] prop-2-enoate
CID 20751952
[4-[2-(4-hexylphenyl)ethynyl]phenyl] prop-2-enoate
CID 145128079
N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide
CID 71342969
2-(4-octylphenoxy)ethyl 2,2,2-tribromoacetate
CID 58711530
(4-nonoxyphenyl) 4-pentylbenzoate
CID 71335502

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nonylphenoxy)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(4-nonylphenoxy)ethyl]prop-2-enamide (CID 134245011) is N-[2-(4-nonylphenoxy)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(4-nonylphenoxy)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(4-nonylphenoxy)ethyl]prop-2-enamide is C=CC(=O)NCCOc1ccc(CCCCCCCCC)cc1.
What is the InChIKey of N-[2-(4-nonylphenoxy)ethyl]prop-2-enamide?
The InChIKey is HHMRCJZOHUSSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-3-5-6-7-8-9-10-11-18-12-14-19(15-13-18)23-17-16-21-20(22)4-2/h4,12-15H,2-3,5-11,16-17H2,1H3,(H,21,22).
What are the key properties of N-[2-(4-nonylphenoxy)ethyl]prop-2-enamide?
N-[2-(4-nonylphenoxy)ethyl]prop-2-enamide has a molecular weight of 317.47 g/mol, XLogP of 4.66, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nonylphenoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 134245011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).