N-(2-phenylethyl)-2-propoxydecanamide

C21H35NO2 — CID 54427884

IUPACN-(2-phenylethyl)-2-propoxydecanamide
SMILESCCCCCCCCC(OCCC)C(=O)NCCc1ccccc1
InChIInChI=1S/C21H35NO2/c1-3-5-6-7-8-12-15-20(24-18-4-2)21(23)22-17-16-19-13-10-9-11-14-19/h9-11,13-14,20H,3-8,12,15-18H2,1-2H3,(H,22,23)
InChIKeyWFKGTSRVRZYMIE-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.89
Rot. Bonds14

About N-(2-phenylethyl)-2-propoxydecanamide

N-(2-phenylethyl)-2-propoxydecanamide (PubChem CID 54427884) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-propoxydecanamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-propoxydecanamide
PubChem CID54427884
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC NameN-(2-phenylethyl)-2-propoxydecanamide
SMILESCCCCCCCCC(OCCC)C(=O)NCCc1ccccc1
InChIInChI=1S/C21H35NO2/c1-3-5-6-7-8-12-15-20(24-18-4-2)21(23)22-17-16-19-13-10-9-11-14-19/h9-11,13-14,20H,3-8,12,15-18H2,1-2H3,(H,22,23)
InChIKeyWFKGTSRVRZYMIE-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.89
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

2-butoxy-N-phenyldodecanamide
CID 70626065
2-butoxy-N-pentyldecanamide
CID 54280474
hexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 162388160
heptyl 2-oxo-2-(2-phenylethylamino)acetate
CID 6421927
(2R)-2-phenylmethoxyoctadecanoic acid
CID 102498485
butyl (3S)-3-amino-4-oxo-4-(2-phenylethylamino)butanoate
CID 165343799
methyl (3R)-3-(2-phenylethyl)decanoate
CID 102157695
2,4,6-tridodecoxy-3,5-bis(2-phenylethylcarbamoyl)benzoic acid
CID 101242341
N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide
CID 42703705
octyl 2-amino-4-phenylbutanoate
CID 3071082
heptyl (2S)-2-amino-4-phenylbutanoate
CID 104983534
3-phenylpropyl 2-heptylundecanoate
CID 129279131

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-propoxydecanamide?
The IUPAC name of N-(2-phenylethyl)-2-propoxydecanamide (CID 54427884) is N-(2-phenylethyl)-2-propoxydecanamide.
What is the SMILES notation for N-(2-phenylethyl)-2-propoxydecanamide?
The canonical SMILES for N-(2-phenylethyl)-2-propoxydecanamide is CCCCCCCCC(OCCC)C(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-propoxydecanamide?
The InChIKey is WFKGTSRVRZYMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2/c1-3-5-6-7-8-12-15-20(24-18-4-2)21(23)22-17-16-19-13-10-9-11-14-19/h9-11,13-14,20H,3-8,12,15-18H2,1-2H3,(H,22,23).
What are the key properties of N-(2-phenylethyl)-2-propoxydecanamide?
N-(2-phenylethyl)-2-propoxydecanamide has a molecular weight of 333.52 g/mol, XLogP of 4.89, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-propoxydecanamide is sourced from PubChem (CID 54427884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).