(E)-2-acetamido-N-heptyl-3-phenylprop-2-enamide

C18H26N2O2 — CID 5285153

IUPAC(E)-2-acetamido-N-heptyl-3-phenylprop-2-enamide
SMILESCCCCCCCNC(=O)/C(=C\c1ccccc1)NC(C)=O
InChIInChI=1S/C18H26N2O2/c1-3-4-5-6-10-13-19-18(22)17(20-15(2)21)14-16-11-8-7-9-12-16/h7-9,11-12,14H,3-6,10,13H2,1-2H3,(H,19,22)(H,20,21)/b17-14+
InChIKeyKTWWMSYSBIGZQL-SAPNQHFASA-N
MW302.42 g/mol
LogP3.25
Rot. Bonds9

About (E)-2-acetamido-N-heptyl-3-phenylprop-2-enamide

(E)-2-acetamido-N-heptyl-3-phenylprop-2-enamide (PubChem CID 5285153) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (E)-2-acetamido-N-heptyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-acetamido-N-heptyl-3-phenylprop-2-enamide
PubChem CID5285153
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(E)-2-acetamido-N-heptyl-3-phenylprop-2-enamide
SMILESCCCCCCCNC(=O)/C(=C\c1ccccc1)NC(C)=O
InChIInChI=1S/C18H26N2O2/c1-3-4-5-6-10-13-19-18(22)17(20-15(2)21)14-16-11-8-7-9-12-16/h7-9,11-12,14H,3-6,10,13H2,1-2H3,(H,19,22)(H,20,21)/b17-14+
InChIKeyKTWWMSYSBIGZQL-SAPNQHFASA-N
XLogP3.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-2-acetamido-N-heptyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-acetamido-N-heptyl-3-phenylprop-2-enamide (CID 5285153) is (E)-2-acetamido-N-heptyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-acetamido-N-heptyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-acetamido-N-heptyl-3-phenylprop-2-enamide is CCCCCCCNC(=O)/C(=C\c1ccccc1)NC(C)=O.
What is the InChIKey of (E)-2-acetamido-N-heptyl-3-phenylprop-2-enamide?
The InChIKey is KTWWMSYSBIGZQL-SAPNQHFASA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-4-5-6-10-13-19-18(22)17(20-15(2)21)14-16-11-8-7-9-12-16/h7-9,11-12,14H,3-6,10,13H2,1-2H3,(H,19,22)(H,20,21)/b17-14+.
What are the key properties of (E)-2-acetamido-N-heptyl-3-phenylprop-2-enamide?
(E)-2-acetamido-N-heptyl-3-phenylprop-2-enamide has a molecular weight of 302.42 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-acetamido-N-heptyl-3-phenylprop-2-enamide is sourced from PubChem (CID 5285153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).