4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide

C26H24N2O4 — CID 3842537

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide
SMILESCOc1ccc(C(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O4/c1-32-20-15-13-19(14-16-20)24(18-8-3-2-4-9-18)27-23(29)12-7-17-28-25(30)21-10-5-6-11-22(21)26(28)31/h2-6,8-11,13-16,24H,7,12,17H2,1H3,(H,27,29)
InChIKeyHLMATIPUXBWIKM-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.98
Rot. Bonds8

About 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide (PubChem CID 3842537) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide
PubChem CID3842537
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide
SMILESCOc1ccc(C(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O4/c1-32-20-15-13-19(14-16-20)24(18-8-3-2-4-9-18)27-23(29)12-7-17-28-25(30)21-10-5-6-11-22(21)26(28)31/h2-6,8-11,13-16,24H,7,12,17H2,1H3,(H,27,29)
InChIKeyHLMATIPUXBWIKM-UHFFFAOYSA-N
XLogP3.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide (CID 3842537) is 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide is COc1ccc(C(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide?
The InChIKey is HLMATIPUXBWIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-32-20-15-13-19(14-16-20)24(18-8-3-2-4-9-18)27-23(29)12-7-17-28-25(30)21-10-5-6-11-22(21)26(28)31/h2-6,8-11,13-16,24H,7,12,17H2,1H3,(H,27,29).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide has a molecular weight of 428.49 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide is sourced from PubChem (CID 3842537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).