(E,7S)-7-methoxy-N-methyl-N-(2-phenylethyl)tetradec-4-enamide

C24H39NO2 — CID 46185890

IUPAC(E,7S)-7-methoxy-N-methyl-N-(2-phenylethyl)tetradec-4-enamide
SMILESCCCCCCC[C@@H](C/C=C/CCC(=O)N(C)CCc1ccccc1)OC
InChIInChI=1S/C24H39NO2/c1-4-5-6-7-12-17-23(27-3)18-13-9-14-19-24(26)25(2)21-20-22-15-10-8-11-16-22/h8-11,13,15-16,23H,4-7,12,14,17-21H2,1-3H3/b13-9+/t23-/m0/s1
InChIKeyFYMKHWSNRORGCO-XLIBHFEYSA-N
MW373.58 g/mol
LogP5.79
Rot. Bonds15

About (E,7S)-7-methoxy-N-methyl-N-(2-phenylethyl)tetradec-4-enamide

(E,7S)-7-methoxy-N-methyl-N-(2-phenylethyl)tetradec-4-enamide (PubChem CID 46185890) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is (E,7S)-7-methoxy-N-methyl-N-(2-phenylethyl)tetradec-4-enamide.

Molecular Properties

Compound Name(E,7S)-7-methoxy-N-methyl-N-(2-phenylethyl)tetradec-4-enamide
PubChem CID46185890
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC Name(E,7S)-7-methoxy-N-methyl-N-(2-phenylethyl)tetradec-4-enamide
SMILESCCCCCCC[C@@H](C/C=C/CCC(=O)N(C)CCc1ccccc1)OC
InChIInChI=1S/C24H39NO2/c1-4-5-6-7-12-17-23(27-3)18-13-9-14-19-24(26)25(2)21-20-22-15-10-8-11-16-22/h8-11,13,15-16,23H,4-7,12,14,17-21H2,1-3H3/b13-9+/t23-/m0/s1
InChIKeyFYMKHWSNRORGCO-XLIBHFEYSA-N
XLogP5.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethane;[(Z)-octadec-9-en-7-yl] 2-phenylacetate
CID 142469277
1-phenylpentadecan-7-yl hydrogen carbonate
CID 67178943
13-phenyltridecan-6-yl hydrogen carbonate
CID 67181193
tetradecan-4-yl 3-phenylpropanoate
CID 591386
7-(2-phenylethyl)hexadec-9-enoic acid
CID 162961291
(E,7S)-7-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]tetradec-4-enamide
CID 73425895
benzyl 12-methoxyoctadecanoate
CID 174381311
1-phenylnonan-4-yl hydrogen carbonate
CID 67178650
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
(Z)-12-(2-methoxyphenoxy)octadec-9-enoic acid
CID 170156922
2-methoxyoctylbenzene
CID 102054372
(E,7S)-N-[(E,2Z)-2-(chloromethylidene)-4-methoxy-6-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-6-oxohex-4-enyl]-7-methoxy-N-methyltetradec-4-enamide
CID 10626553

Frequently Asked Questions

What is the IUPAC name of (E,7S)-7-methoxy-N-methyl-N-(2-phenylethyl)tetradec-4-enamide?
The IUPAC name of (E,7S)-7-methoxy-N-methyl-N-(2-phenylethyl)tetradec-4-enamide (CID 46185890) is (E,7S)-7-methoxy-N-methyl-N-(2-phenylethyl)tetradec-4-enamide.
What is the SMILES notation for (E,7S)-7-methoxy-N-methyl-N-(2-phenylethyl)tetradec-4-enamide?
The canonical SMILES for (E,7S)-7-methoxy-N-methyl-N-(2-phenylethyl)tetradec-4-enamide is CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)CCc1ccccc1)OC.
What is the InChIKey of (E,7S)-7-methoxy-N-methyl-N-(2-phenylethyl)tetradec-4-enamide?
The InChIKey is FYMKHWSNRORGCO-XLIBHFEYSA-N. The full InChI is InChI=1S/C24H39NO2/c1-4-5-6-7-12-17-23(27-3)18-13-9-14-19-24(26)25(2)21-20-22-15-10-8-11-16-22/h8-11,13,15-16,23H,4-7,12,14,17-21H2,1-3H3/b13-9+/t23-/m0/s1.
What are the key properties of (E,7S)-7-methoxy-N-methyl-N-(2-phenylethyl)tetradec-4-enamide?
(E,7S)-7-methoxy-N-methyl-N-(2-phenylethyl)tetradec-4-enamide has a molecular weight of 373.58 g/mol, XLogP of 5.79, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7S)-7-methoxy-N-methyl-N-(2-phenylethyl)tetradec-4-enamide is sourced from PubChem (CID 46185890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).