N-[(E)-6-(prop-2-enoylamino)hex-5-enyl]benzamide

C16H20N2O2 — CID 175440437

IUPACN-[(E)-6-(prop-2-enoylamino)hex-5-enyl]benzamide
SMILESC=CC(=O)N/C=C/CCCCNC(=O)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-2-15(19)17-12-8-3-4-9-13-18-16(20)14-10-6-5-7-11-14/h2,5-8,10-12H,1,3-4,9,13H2,(H,17,19)(H,18,20)/b12-8+
InChIKeyAQOAQCKLZACLID-XYOKQWHBSA-N
MW272.35 g/mol
LogP2.40
Rot. Bonds8

About N-[(E)-6-(prop-2-enoylamino)hex-5-enyl]benzamide

N-[(E)-6-(prop-2-enoylamino)hex-5-enyl]benzamide (PubChem CID 175440437) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(E)-6-(prop-2-enoylamino)hex-5-enyl]benzamide.

Molecular Properties

Compound NameN-[(E)-6-(prop-2-enoylamino)hex-5-enyl]benzamide
PubChem CID175440437
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(E)-6-(prop-2-enoylamino)hex-5-enyl]benzamide
SMILESC=CC(=O)N/C=C/CCCCNC(=O)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-2-15(19)17-12-8-3-4-9-13-18-16(20)14-10-6-5-7-11-14/h2,5-8,10-12H,1,3-4,9,13H2,(H,17,19)(H,18,20)/b12-8+
InChIKeyAQOAQCKLZACLID-XYOKQWHBSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.40
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-6-(prop-2-enoylamino)hex-5-enyl]benzamide?
The IUPAC name of N-[(E)-6-(prop-2-enoylamino)hex-5-enyl]benzamide (CID 175440437) is N-[(E)-6-(prop-2-enoylamino)hex-5-enyl]benzamide.
What is the SMILES notation for N-[(E)-6-(prop-2-enoylamino)hex-5-enyl]benzamide?
The canonical SMILES for N-[(E)-6-(prop-2-enoylamino)hex-5-enyl]benzamide is C=CC(=O)N/C=C/CCCCNC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-6-(prop-2-enoylamino)hex-5-enyl]benzamide?
The InChIKey is AQOAQCKLZACLID-XYOKQWHBSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-15(19)17-12-8-3-4-9-13-18-16(20)14-10-6-5-7-11-14/h2,5-8,10-12H,1,3-4,9,13H2,(H,17,19)(H,18,20)/b12-8+.
What are the key properties of N-[(E)-6-(prop-2-enoylamino)hex-5-enyl]benzamide?
N-[(E)-6-(prop-2-enoylamino)hex-5-enyl]benzamide has a molecular weight of 272.35 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6-(prop-2-enoylamino)hex-5-enyl]benzamide is sourced from PubChem (CID 175440437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).