N-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylmethoxyphenyl)acetamide

C34H34N2O4 — CID 10744876

IUPACN-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylmethoxyphenyl)acetamide
SMILESO=C1c2ccccc2C(=O)N1CC(=O)N(CC12CC3CC(CC(C3)C1)C2)c1ccccc1OCc1ccccc1
InChIInChI=1S/C34H34N2O4/c37-31(20-35-32(38)27-10-4-5-11-28(27)33(35)39)36(22-34-17-24-14-25(18-34)16-26(15-24)19-34)29-12-6-7-13-30(29)40-21-23-8-2-1-3-9-23/h1-13,24-26H,14-22H2
InChIKeyAVWIPGUUWGRHCA-UHFFFAOYSA-N
MW534.66 g/mol
LogP6.11
Rot. Bonds8

About N-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylmethoxyphenyl)acetamide

N-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylmethoxyphenyl)acetamide (PubChem CID 10744876) has the molecular formula C34H34N2O4 and a molecular weight of 534.66 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylmethoxyphenyl)acetamide
PubChem CID10744876
Molecular FormulaC34H34N2O4
Molecular Weight534.66 g/mol
Exact Mass534.25
IUPAC NameN-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylmethoxyphenyl)acetamide
SMILESO=C1c2ccccc2C(=O)N1CC(=O)N(CC12CC3CC(CC(C3)C1)C2)c1ccccc1OCc1ccccc1
InChIInChI=1S/C34H34N2O4/c37-31(20-35-32(38)27-10-4-5-11-28(27)33(35)39)36(22-34-17-24-14-25(18-34)16-26(15-24)19-34)29-12-6-7-13-30(29)40-21-23-8-2-1-3-9-23/h1-13,24-26H,14-22H2
InChIKeyAVWIPGUUWGRHCA-UHFFFAOYSA-N
XLogP6.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 56.11
H-Bond Donors ≤ 50
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 N-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylmethoxyphenyl)acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylmethoxyphenyl)acetamide (CID 10744876) is N-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylmethoxyphenyl)acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylmethoxyphenyl)acetamide is O=C1c2ccccc2C(=O)N1CC(=O)N(CC12CC3CC(CC(C3)C1)C2)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylmethoxyphenyl)acetamide?
The InChIKey is AVWIPGUUWGRHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O4/c37-31(20-35-32(38)27-10-4-5-11-28(27)33(35)39)36(22-34-17-24-14-25(18-34)16-26(15-24)19-34)29-12-6-7-13-30(29)40-21-23-8-2-1-3-9-23/h1-13,24-26H,14-22H2.
What are the key properties of N-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylmethoxyphenyl)acetamide?
N-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylmethoxyphenyl)acetamide has a molecular weight of 534.66 g/mol, XLogP of 6.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 10744876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).