(Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide

C15H18N2O2 — CID 19629150

IUPAC(Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C(=C/c1ccccc1C)NC(C)=O
InChIInChI=1S/C15H18N2O2/c1-4-9-16-15(19)14(17-12(3)18)10-13-8-6-5-7-11(13)2/h4-8,10H,1,9H2,2-3H3,(H,16,19)(H,17,18)/b14-10-
InChIKeyDNGWIWAIWIRTQH-UVTDQMKNSA-N
MW258.32 g/mol
LogP1.77
Rot. Bonds5

About (Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide

(Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide (PubChem CID 19629150) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide
PubChem CID19629150
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C(=C/c1ccccc1C)NC(C)=O
InChIInChI=1S/C15H18N2O2/c1-4-9-16-15(19)14(17-12(3)18)10-13-8-6-5-7-11(13)2/h4-8,10H,1,9H2,2-3H3,(H,16,19)(H,17,18)/b14-10-
InChIKeyDNGWIWAIWIRTQH-UVTDQMKNSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.77
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-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of (Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide (CID 19629150) is (Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide is C=CCNC(=O)/C(=C/c1ccccc1C)NC(C)=O.
What is the InChIKey of (Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is DNGWIWAIWIRTQH-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-9-16-15(19)14(17-12(3)18)10-13-8-6-5-7-11(13)2/h4-8,10H,1,9H2,2-3H3,(H,16,19)(H,17,18)/b14-10-.
What are the key properties of (Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide?
(Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide has a molecular weight of 258.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 19629150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).