(Z)-2-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide

C19H24N2O2 — CID 6533502

IUPAC(Z)-2-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H24N2O2/c1-15(22)21-18(14-17-10-6-3-7-11-17)19(23)20-13-12-16-8-4-2-5-9-16/h3,6-8,10-11,14H,2,4-5,9,12-13H2,1H3,(H,20,23)(H,21,22)/b18-14-
InChIKeySQPCVEWHNNXLST-JXAWBTAJSA-N
MW312.41 g/mol
LogP3.17
Rot. Bonds6

About (Z)-2-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide

(Z)-2-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 6533502) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (Z)-2-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID6533502
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(Z)-2-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H24N2O2/c1-15(22)21-18(14-17-10-6-3-7-11-17)19(23)20-13-12-16-8-4-2-5-9-16/h3,6-8,10-11,14H,2,4-5,9,12-13H2,1H3,(H,20,23)(H,21,22)/b18-14-
InChIKeySQPCVEWHNNXLST-JXAWBTAJSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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)-2-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide (CID 6533502) is (Z)-2-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide is CC(=O)N/C(=C\c1ccccc1)C(=O)NCCC1=CCCCC1.
What is the InChIKey of (Z)-2-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is SQPCVEWHNNXLST-JXAWBTAJSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15(22)21-18(14-17-10-6-3-7-11-17)19(23)20-13-12-16-8-4-2-5-9-16/h3,6-8,10-11,14H,2,4-5,9,12-13H2,1H3,(H,20,23)(H,21,22)/b18-14-.
What are the key properties of (Z)-2-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide?
(Z)-2-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 312.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 6533502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).