2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide

C22H22N2O3 — CID 151805850

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide
SMILESC=CCCCNC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H22N2O3/c1-2-3-9-14-23-20(25)19(15-16-10-5-4-6-11-16)24-21(26)17-12-7-8-13-18(17)22(24)27/h2,4-8,10-13,19H,1,3,9,14-15H2,(H,23,25)
InChIKeyRZOWCZUTVQYKCQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.98
Rot. Bonds8

About 2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide

2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide (PubChem CID 151805850) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide
PubChem CID151805850
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide
SMILESC=CCCCNC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H22N2O3/c1-2-3-9-14-23-20(25)19(15-16-10-5-4-6-11-16)24-21(26)17-12-7-8-13-18(17)22(24)27/h2,4-8,10-13,19H,1,3,9,14-15H2,(H,23,25)
InChIKeyRZOWCZUTVQYKCQ-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19739690
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8927721
methyl (2S)-2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]hex-5-enoate
CID 139615150
N-[2-(3-chloropropanoylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 108571884
2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide
CID 4158596
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
CID 118343365
methyl (2S)-2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]-6-oxohexanoate
CID 10961092
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 5024298
2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide
CID 2920603
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 3148598
(2S)-N-[(2S)-butan-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2597519
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 3890991

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide (CID 151805850) is 2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide is C=CCCCNC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide?
The InChIKey is RZOWCZUTVQYKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-2-3-9-14-23-20(25)19(15-16-10-5-4-6-11-16)24-21(26)17-12-7-8-13-18(17)22(24)27/h2,4-8,10-13,19H,1,3,9,14-15H2,(H,23,25).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide?
2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide has a molecular weight of 362.43 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide is sourced from PubChem (CID 151805850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).