N-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide

C22H23N3O2 — CID 166420765

IUPACN-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)NCCCn1ccc2ccccc21
InChIInChI=1S/C22H23N3O2/c1-2-21(26)24-19-10-5-3-9-18(19)16-22(27)23-13-7-14-25-15-12-17-8-4-6-11-20(17)25/h2-6,8-12,15H,1,7,13-14,16H2,(H,23,27)(H,24,26)
InChIKeyPPEJKNZNMYWUCO-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.51
Rot. Bonds8

About N-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide

N-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 166420765) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID166420765
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)NCCCn1ccc2ccccc21
InChIInChI=1S/C22H23N3O2/c1-2-21(26)24-19-10-5-3-9-18(19)16-22(27)23-13-7-14-25-15-12-17-8-4-6-11-20(17)25/h2-6,8-12,15H,1,7,13-14,16H2,(H,23,27)(H,24,26)
InChIKeyPPEJKNZNMYWUCO-UHFFFAOYSA-N
XLogP3.51
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.51
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-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide (CID 166420765) is N-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1CC(=O)NCCCn1ccc2ccccc21.
What is the InChIKey of N-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is PPEJKNZNMYWUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-21(26)24-19-10-5-3-9-18(19)16-22(27)23-13-7-14-25-15-12-17-8-4-6-11-20(17)25/h2-6,8-12,15H,1,7,13-14,16H2,(H,23,27)(H,24,26).
What are the key properties of N-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide?
N-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 361.45 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166420765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).