N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C22H24N2O3 — CID 55690067

IUPACN-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(C)(C)CC(NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C22H24N2O3/c1-22(2,3)13-18(15-9-5-4-6-10-15)23-19(25)14-24-20(26)16-11-7-8-12-17(16)21(24)27/h4-12,18H,13-14H2,1-3H3,(H,23,25)
InChIKeyIVGFCFVWESWFRV-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.58
Rot. Bonds5

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

N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 55690067) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID55690067
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(C)(C)CC(NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C22H24N2O3/c1-22(2,3)13-18(15-9-5-4-6-10-15)23-19(25)14-24-20(26)16-11-7-8-12-17(16)21(24)27/h4-12,18H,13-14H2,1-3H3,(H,23,25)
InChIKeyIVGFCFVWESWFRV-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.58
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
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide
CID 3678187
2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 1312829
2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide
CID 94027165
3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide
CID 60837199
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8936932
N-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 175143603
(2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide
CID 41165191
2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid
CID 61329225
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
2-(1,3-dioxoisoindol-2-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 9017592
2-(butan-2-ylamino)-N-(3,3-dimethyl-1-phenylbutyl)acetamide
CID 60853926

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 55690067) is N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is CC(C)(C)CC(NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is IVGFCFVWESWFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-22(2,3)13-18(15-9-5-4-6-10-15)23-19(25)14-24-20(26)16-11-7-8-12-17(16)21(24)27/h4-12,18H,13-14H2,1-3H3,(H,23,25).
What are the key properties of N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 55690067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).