(Z)-N-methyl-3-pentoxy-3-phenylprop-2-enamide

C15H21NO2 — CID 67640837

IUPAC(Z)-N-methyl-3-pentoxy-3-phenylprop-2-enamide
SMILESCCCCCO/C(=C\C(=O)NC)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-4-8-11-18-14(12-15(17)16-2)13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,16,17)/b14-12-
InChIKeyWIZLZOTVPPYCPI-OWBHPGMISA-N
MW247.34 g/mol
LogP2.98
Rot. Bonds7

About (Z)-N-methyl-3-pentoxy-3-phenylprop-2-enamide

(Z)-N-methyl-3-pentoxy-3-phenylprop-2-enamide (PubChem CID 67640837) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (Z)-N-methyl-3-pentoxy-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-methyl-3-pentoxy-3-phenylprop-2-enamide
PubChem CID67640837
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(Z)-N-methyl-3-pentoxy-3-phenylprop-2-enamide
SMILESCCCCCO/C(=C\C(=O)NC)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-4-8-11-18-14(12-15(17)16-2)13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,16,17)/b14-12-
InChIKeyWIZLZOTVPPYCPI-OWBHPGMISA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.98
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-3-pentoxy-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-methyl-3-pentoxy-3-phenylprop-2-enamide (CID 67640837) is (Z)-N-methyl-3-pentoxy-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-methyl-3-pentoxy-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-methyl-3-pentoxy-3-phenylprop-2-enamide is CCCCCO/C(=C\C(=O)NC)c1ccccc1.
What is the InChIKey of (Z)-N-methyl-3-pentoxy-3-phenylprop-2-enamide?
The InChIKey is WIZLZOTVPPYCPI-OWBHPGMISA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-4-8-11-18-14(12-15(17)16-2)13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,16,17)/b14-12-.
What are the key properties of (Z)-N-methyl-3-pentoxy-3-phenylprop-2-enamide?
(Z)-N-methyl-3-pentoxy-3-phenylprop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-pentoxy-3-phenylprop-2-enamide is sourced from PubChem (CID 67640837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).