N-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide

C16H20N2O2 — CID 19065675

IUPACN-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide
SMILESC=CNC(=O)CCc1cccc(CCC(=O)NC=C)c1
InChIInChI=1S/C16H20N2O2/c1-3-17-15(19)10-8-13-6-5-7-14(12-13)9-11-16(20)18-4-2/h3-7,12H,1-2,8-11H2,(H,17,19)(H,18,20)
InChIKeyBQZBDZLEDUULCT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.07
Rot. Bonds8

About N-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide

N-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide (PubChem CID 19065675) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide.

Molecular Properties

Compound NameN-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide
PubChem CID19065675
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide
SMILESC=CNC(=O)CCc1cccc(CCC(=O)NC=C)c1
InChIInChI=1S/C16H20N2O2/c1-3-17-15(19)10-8-13-6-5-7-14(12-13)9-11-16(20)18-4-2/h3-7,12H,1-2,8-11H2,(H,17,19)(H,18,20)
InChIKeyBQZBDZLEDUULCT-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide?
The IUPAC name of N-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide (CID 19065675) is N-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide.
What is the SMILES notation for N-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide?
The canonical SMILES for N-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide is C=CNC(=O)CCc1cccc(CCC(=O)NC=C)c1.
What is the InChIKey of N-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide?
The InChIKey is BQZBDZLEDUULCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-17-15(19)10-8-13-6-5-7-14(12-13)9-11-16(20)18-4-2/h3-7,12H,1-2,8-11H2,(H,17,19)(H,18,20).
What are the key properties of N-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide?
N-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide is sourced from PubChem (CID 19065675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).