2-methoxy-N-octyl-3-phenylprop-2-enamide

C18H27NO2 — CID 69178102

IUPAC2-methoxy-N-octyl-3-phenylprop-2-enamide
SMILESCCCCCCCCNC(=O)C(=Cc1ccccc1)OC
InChIInChI=1S/C18H27NO2/c1-3-4-5-6-7-11-14-19-18(20)17(21-2)15-16-12-9-8-10-13-16/h8-10,12-13,15H,3-7,11,14H2,1-2H3,(H,19,20)
InChIKeyLQRZVQMLFNWORD-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.15
Rot. Bonds10

About 2-methoxy-N-octyl-3-phenylprop-2-enamide

2-methoxy-N-octyl-3-phenylprop-2-enamide (PubChem CID 69178102) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methoxy-N-octyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name2-methoxy-N-octyl-3-phenylprop-2-enamide
PubChem CID69178102
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-methoxy-N-octyl-3-phenylprop-2-enamide
SMILESCCCCCCCCNC(=O)C(=Cc1ccccc1)OC
InChIInChI=1S/C18H27NO2/c1-3-4-5-6-7-11-14-19-18(20)17(21-2)15-16-12-9-8-10-13-16/h8-10,12-13,15H,3-7,11,14H2,1-2H3,(H,19,20)
InChIKeyLQRZVQMLFNWORD-UHFFFAOYSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-oxo-3-(pentylamino)-1-phenylprop-1-ene-2-sulfonic acid
CID 174538982
decyl 2-methoxy-3-phenylprop-2-enoate
CID 164571010
N-dodecyl-2-methylprop-2-enamide;styrene
CID 174861897
zinc;octyl 2-methoxy-3-phenylprop-2-enoate;oxygen(2-)
CID 158496796
2-methoxy-3-phenylprop-2-enoic acid;octyl 2-methoxy-3-phenylprop-2-enoate
CID 162017685
(2E)-2-benzylidene-N-(4-methoxybutyl)butanamide
CID 110617152
N-[(E)-1-[4-[(E)-2-benzamido-3-(octylamino)-3-oxoprop-1-enyl]phenyl]-3-(octylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 6367639
methyl (E,4E)-4-benzylidene-2-methoxynon-2-enoate
CID 139785086
potassium;hexadecyl dihydrogen phosphate;2-methoxy-3-phenylprop-2-enoate
CID 67283735
(Z)-1-(butylamino)-2-phenylethenol
CID 134892949
2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
(E)-3-(4-nitrophenyl)-N-octyl-2-phenylprop-2-enamide
CID 13036252

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-octyl-3-phenylprop-2-enamide?
The IUPAC name of 2-methoxy-N-octyl-3-phenylprop-2-enamide (CID 69178102) is 2-methoxy-N-octyl-3-phenylprop-2-enamide.
What is the SMILES notation for 2-methoxy-N-octyl-3-phenylprop-2-enamide?
The canonical SMILES for 2-methoxy-N-octyl-3-phenylprop-2-enamide is CCCCCCCCNC(=O)C(=Cc1ccccc1)OC.
What is the InChIKey of 2-methoxy-N-octyl-3-phenylprop-2-enamide?
The InChIKey is LQRZVQMLFNWORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-4-5-6-7-11-14-19-18(20)17(21-2)15-16-12-9-8-10-13-16/h8-10,12-13,15H,3-7,11,14H2,1-2H3,(H,19,20).
What are the key properties of 2-methoxy-N-octyl-3-phenylprop-2-enamide?
2-methoxy-N-octyl-3-phenylprop-2-enamide has a molecular weight of 289.42 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-octyl-3-phenylprop-2-enamide is sourced from PubChem (CID 69178102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).