N-(2-phenoxyethyl)nonanamide

C17H27NO2 — CID 4605084

IUPACN-(2-phenoxyethyl)nonanamide
SMILESCCCCCCCCC(=O)NCCOc1ccccc1
InChIInChI=1S/C17H27NO2/c1-2-3-4-5-6-10-13-17(19)18-14-15-20-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3,(H,18,19)
InChIKeyNVIKMTLUFJKIIR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.93
Rot. Bonds11

About N-(2-phenoxyethyl)nonanamide

N-(2-phenoxyethyl)nonanamide (PubChem CID 4605084) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-phenoxyethyl)nonanamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)nonanamide
PubChem CID4605084
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(2-phenoxyethyl)nonanamide
SMILESCCCCCCCCC(=O)NCCOc1ccccc1
InChIInChI=1S/C17H27NO2/c1-2-3-4-5-6-10-13-17(19)18-14-15-20-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3,(H,18,19)
InChIKeyNVIKMTLUFJKIIR-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.93
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

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CID 832666
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2-(4-methoxyphenyl)-N-pentylacetamide
CID 653397
N-(4-methoxyphenethyl)oleamide
CID 44406075
(R)-2-Cyano-3,3-dimethyl-N-((R)-1-methyl-2-phenoxy-ethyl)-butyramide
CID 44288153
2-Cyano-3,3-dimethyl-N-(1-methyl-2-phenoxy-ethyl)-butyramide
CID 44288516
N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
CID 1720819
2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 2216265
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506754
N-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide
CID 2975398
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide
CID 2977623

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)nonanamide?
The IUPAC name of N-(2-phenoxyethyl)nonanamide (CID 4605084) is N-(2-phenoxyethyl)nonanamide.
What is the SMILES notation for N-(2-phenoxyethyl)nonanamide?
The canonical SMILES for N-(2-phenoxyethyl)nonanamide is CCCCCCCCC(=O)NCCOc1ccccc1.
What is the InChIKey of N-(2-phenoxyethyl)nonanamide?
The InChIKey is NVIKMTLUFJKIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-3-4-5-6-10-13-17(19)18-14-15-20-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3,(H,18,19).
What are the key properties of N-(2-phenoxyethyl)nonanamide?
N-(2-phenoxyethyl)nonanamide has a molecular weight of 277.41 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)nonanamide is sourced from PubChem (CID 4605084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).