4-[1,3-dioxo-4,7-bis(phenylmethoxy)isoindol-2-yl]-N,N-di(propan-2-yl)butanamide

C32H36N2O5 — CID 101141422

IUPAC4-[1,3-dioxo-4,7-bis(phenylmethoxy)isoindol-2-yl]-N,N-di(propan-2-yl)butanamide
SMILESCC(C)N(C(=O)CCCN1C(=O)c2c(OCc3ccccc3)ccc(OCc3ccccc3)c2C1=O)C(C)C
InChIInChI=1S/C32H36N2O5/c1-22(2)34(23(3)4)28(35)16-11-19-33-31(36)29-26(38-20-24-12-7-5-8-13-24)17-18-27(30(29)32(33)37)39-21-25-14-9-6-10-15-25/h5-10,12-15,17-18,22-23H,11,16,19-21H2,1-4H3
InChIKeyPXMOBROHNZPLTM-UHFFFAOYSA-N
MW528.65 g/mol
LogP5.87
Rot. Bonds12

About 4-[1,3-dioxo-4,7-bis(phenylmethoxy)isoindol-2-yl]-N,N-di(propan-2-yl)butanamide

4-[1,3-dioxo-4,7-bis(phenylmethoxy)isoindol-2-yl]-N,N-di(propan-2-yl)butanamide (PubChem CID 101141422) has the molecular formula C32H36N2O5 and a molecular weight of 528.65 g/mol. Its IUPAC name is 4-[1,3-dioxo-4,7-bis(phenylmethoxy)isoindol-2-yl]-N,N-di(propan-2-yl)butanamide.

Molecular Properties

Compound Name4-[1,3-dioxo-4,7-bis(phenylmethoxy)isoindol-2-yl]-N,N-di(propan-2-yl)butanamide
PubChem CID101141422
Molecular FormulaC32H36N2O5
Molecular Weight528.65 g/mol
Exact Mass528.26
IUPAC Name4-[1,3-dioxo-4,7-bis(phenylmethoxy)isoindol-2-yl]-N,N-di(propan-2-yl)butanamide
SMILESCC(C)N(C(=O)CCCN1C(=O)c2c(OCc3ccccc3)ccc(OCc3ccccc3)c2C1=O)C(C)C
InChIInChI=1S/C32H36N2O5/c1-22(2)34(23(3)4)28(35)16-11-19-33-31(36)29-26(38-20-24-12-7-5-8-13-24)17-18-27(30(29)32(33)37)39-21-25-14-9-6-10-15-25/h5-10,12-15,17-18,22-23H,11,16,19-21H2,1-4H3
InChIKeyPXMOBROHNZPLTM-UHFFFAOYSA-N
XLogP5.87
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.65
LogP ≤ 55.87
H-Bond Donors ≤ 50
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 4-[1,3-dioxo-4,7-bis(phenylmethoxy)isoindol-2-yl]-N,N-di(propan-2-yl)butanamide?
The IUPAC name of 4-[1,3-dioxo-4,7-bis(phenylmethoxy)isoindol-2-yl]-N,N-di(propan-2-yl)butanamide (CID 101141422) is 4-[1,3-dioxo-4,7-bis(phenylmethoxy)isoindol-2-yl]-N,N-di(propan-2-yl)butanamide.
What is the SMILES notation for 4-[1,3-dioxo-4,7-bis(phenylmethoxy)isoindol-2-yl]-N,N-di(propan-2-yl)butanamide?
The canonical SMILES for 4-[1,3-dioxo-4,7-bis(phenylmethoxy)isoindol-2-yl]-N,N-di(propan-2-yl)butanamide is CC(C)N(C(=O)CCCN1C(=O)c2c(OCc3ccccc3)ccc(OCc3ccccc3)c2C1=O)C(C)C.
What is the InChIKey of 4-[1,3-dioxo-4,7-bis(phenylmethoxy)isoindol-2-yl]-N,N-di(propan-2-yl)butanamide?
The InChIKey is PXMOBROHNZPLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O5/c1-22(2)34(23(3)4)28(35)16-11-19-33-31(36)29-26(38-20-24-12-7-5-8-13-24)17-18-27(30(29)32(33)37)39-21-25-14-9-6-10-15-25/h5-10,12-15,17-18,22-23H,11,16,19-21H2,1-4H3.
What are the key properties of 4-[1,3-dioxo-4,7-bis(phenylmethoxy)isoindol-2-yl]-N,N-di(propan-2-yl)butanamide?
4-[1,3-dioxo-4,7-bis(phenylmethoxy)isoindol-2-yl]-N,N-di(propan-2-yl)butanamide has a molecular weight of 528.65 g/mol, XLogP of 5.87, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,3-dioxo-4,7-bis(phenylmethoxy)isoindol-2-yl]-N,N-di(propan-2-yl)butanamide is sourced from PubChem (CID 101141422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).