(4S)-4-amino-5-(1,3-dioxoisoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide

C25H23N3O4 — CID 24901643

IUPAC(4S)-4-amino-5-(1,3-dioxoisoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide
SMILESN[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H23N3O4/c26-17(16-28-24(30)21-8-4-5-9-22(21)25(28)31)10-15-23(29)27-18-11-13-20(14-12-18)32-19-6-2-1-3-7-19/h1-9,11-14,17H,10,15-16,26H2,(H,27,29)/t17-/m0/s1
InChIKeyOYEMYFCDXYVMEY-KRWDZBQOSA-N
MW429.48 g/mol
LogP3.82
Rot. Bonds8

About (4S)-4-amino-5-(1,3-dioxoisoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide

(4S)-4-amino-5-(1,3-dioxoisoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide (PubChem CID 24901643) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is (4S)-4-amino-5-(1,3-dioxoisoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide.

Molecular Properties

Compound Name(4S)-4-amino-5-(1,3-dioxoisoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide
PubChem CID24901643
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name(4S)-4-amino-5-(1,3-dioxoisoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide
SMILESN[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H23N3O4/c26-17(16-28-24(30)21-8-4-5-9-22(21)25(28)31)10-15-23(29)27-18-11-13-20(14-12-18)32-19-6-2-1-3-7-19/h1-9,11-14,17H,10,15-16,26H2,(H,27,29)/t17-/m0/s1
InChIKeyOYEMYFCDXYVMEY-KRWDZBQOSA-N
XLogP3.82
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-(1,3-dioxoisoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide?
The IUPAC name of (4S)-4-amino-5-(1,3-dioxoisoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide (CID 24901643) is (4S)-4-amino-5-(1,3-dioxoisoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide.
What is the SMILES notation for (4S)-4-amino-5-(1,3-dioxoisoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide?
The canonical SMILES for (4S)-4-amino-5-(1,3-dioxoisoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide is N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (4S)-4-amino-5-(1,3-dioxoisoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide?
The InChIKey is OYEMYFCDXYVMEY-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H23N3O4/c26-17(16-28-24(30)21-8-4-5-9-22(21)25(28)31)10-15-23(29)27-18-11-13-20(14-12-18)32-19-6-2-1-3-7-19/h1-9,11-14,17H,10,15-16,26H2,(H,27,29)/t17-/m0/s1.
What are the key properties of (4S)-4-amino-5-(1,3-dioxoisoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide?
(4S)-4-amino-5-(1,3-dioxoisoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide has a molecular weight of 429.48 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-(1,3-dioxoisoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide is sourced from PubChem (CID 24901643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).