N-[4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]amino]phenyl]acetamide

C15H20N2O2 — CID 2190180

IUPACN-[4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N/C=C/C(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-11(18)17-13-7-5-12(6-8-13)16-10-9-14(19)15(2,3)4/h5-10,16H,1-4H3,(H,17,18)/b10-9+
InChIKeySOILZCPNINMLHK-MDZDMXLPSA-N
MW260.34 g/mol
LogP3.19
Rot. Bonds4

About N-[4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]amino]phenyl]acetamide

N-[4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]amino]phenyl]acetamide (PubChem CID 2190180) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]amino]phenyl]acetamide
PubChem CID2190180
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N/C=C/C(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-11(18)17-13-7-5-12(6-8-13)16-10-9-14(19)15(2,3)4/h5-10,16H,1-4H3,(H,17,18)/b10-9+
InChIKeySOILZCPNINMLHK-MDZDMXLPSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]amino]phenyl]acetamide (CID 2190180) is N-[4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N/C=C/C(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]amino]phenyl]acetamide?
The InChIKey is SOILZCPNINMLHK-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(18)17-13-7-5-12(6-8-13)16-10-9-14(19)15(2,3)4/h5-10,16H,1-4H3,(H,17,18)/b10-9+.
What are the key properties of N-[4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]amino]phenyl]acetamide?
N-[4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]amino]phenyl]acetamide has a molecular weight of 260.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]amino]phenyl]acetamide is sourced from PubChem (CID 2190180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).