2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide

C21H22N2O3 — CID 3678187

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide
SMILESCCCCC(NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C21H22N2O3/c1-2-3-13-18(15-9-5-4-6-10-15)22-19(24)14-23-20(25)16-11-7-8-12-17(16)21(23)26/h4-12,18H,2-3,13-14H2,1H3,(H,22,24)
InChIKeyFZGRNHTZJMVIFO-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.33
Rot. Bonds7

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

2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide (PubChem CID 3678187) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide
PubChem CID3678187
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide
SMILESCCCCC(NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C21H22N2O3/c1-2-3-13-18(15-9-5-4-6-10-15)22-19(24)14-23-20(25)16-11-7-8-12-17(16)21(23)26/h4-12,18H,2-3,13-14H2,1H3,(H,22,24)
InChIKeyFZGRNHTZJMVIFO-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-phenylpropanoic acid
CID 53215949
N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 55690067
4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide
CID 17477366
2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 1312829
4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide
CID 92685405
2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide
CID 94027165
ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate
CID 19166860
1-phenylhexylcarbamic acid
CID 21477897
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
N-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 175143603
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
1-phenyloctylcarbamic acid
CID 90271204

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide (CID 3678187) is 2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide is CCCCC(NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide?
The InChIKey is FZGRNHTZJMVIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-3-13-18(15-9-5-4-6-10-15)22-19(24)14-23-20(25)16-11-7-8-12-17(16)21(23)26/h4-12,18H,2-3,13-14H2,1H3,(H,22,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.33, 7 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-(1-phenylpentyl)acetamide is sourced from PubChem (CID 3678187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).