(E)-N-pentyl-3-phenylprop-2-enamide

C14H19NO — CID 5385502

IUPAC(E)-N-pentyl-3-phenylprop-2-enamide
SMILESCCCCCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H19NO/c1-2-3-7-12-15-14(16)11-10-13-8-5-4-6-9-13/h4-6,8-11H,2-3,7,12H2,1H3,(H,15,16)/b11-10+
InChIKeyMEZYXXPMKKCROZ-ZHACJKMWSA-N
MW217.31 g/mol
LogP3.01
Rot. Bonds6

About (E)-N-pentyl-3-phenylprop-2-enamide

(E)-N-pentyl-3-phenylprop-2-enamide (PubChem CID 5385502) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (E)-N-pentyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-pentyl-3-phenylprop-2-enamide
PubChem CID5385502
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(E)-N-pentyl-3-phenylprop-2-enamide
SMILESCCCCCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H19NO/c1-2-3-7-12-15-14(16)11-10-13-8-5-4-6-9-13/h4-6,8-11H,2-3,7,12H2,1H3,(H,15,16)/b11-10+
InChIKeyMEZYXXPMKKCROZ-ZHACJKMWSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (E)-N-pentyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-pentyl-3-phenylprop-2-enamide (CID 5385502) is (E)-N-pentyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-pentyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-pentyl-3-phenylprop-2-enamide is CCCCCNC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-pentyl-3-phenylprop-2-enamide?
The InChIKey is MEZYXXPMKKCROZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-3-7-12-15-14(16)11-10-13-8-5-4-6-9-13/h4-6,8-11H,2-3,7,12H2,1H3,(H,15,16)/b11-10+.
What are the key properties of (E)-N-pentyl-3-phenylprop-2-enamide?
(E)-N-pentyl-3-phenylprop-2-enamide has a molecular weight of 217.31 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-pentyl-3-phenylprop-2-enamide is sourced from PubChem (CID 5385502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).