N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide

C22H24N2O3 — CID 55907831

IUPACN-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide
SMILESCc1ccccc1OCCNC(=O)C=Cc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C22H24N2O3/c1-16-4-2-3-5-20(16)27-15-14-23-21(25)13-8-17-6-9-18(10-7-17)22(26)24-19-11-12-19/h2-10,13,19H,11-12,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyIXVJFGSTIROAFV-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.10
Rot. Bonds8

About N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide

N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide (PubChem CID 55907831) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide
PubChem CID55907831
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide
SMILESCc1ccccc1OCCNC(=O)C=Cc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C22H24N2O3/c1-16-4-2-3-5-20(16)27-15-14-23-21(25)13-8-17-6-9-18(10-7-17)22(26)24-19-11-12-19/h2-10,13,19H,11-12,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyIXVJFGSTIROAFV-UHFFFAOYSA-N
XLogP3.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide (CID 55907831) is N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide is Cc1ccccc1OCCNC(=O)C=Cc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide?
The InChIKey is IXVJFGSTIROAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16-4-2-3-5-20(16)27-15-14-23-21(25)13-8-17-6-9-18(10-7-17)22(26)24-19-11-12-19/h2-10,13,19H,11-12,14-15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide?
N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 55907831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).