4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide

C22H24N2O3 — CID 17477366

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide
SMILESCCCC(NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C22H24N2O3/c1-2-9-19(16-10-4-3-5-11-16)23-20(25)14-8-15-24-21(26)17-12-6-7-13-18(17)22(24)27/h3-7,10-13,19H,2,8-9,14-15H2,1H3,(H,23,25)
InChIKeySNVIRPCQOVVLJD-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.72
Rot. Bonds8

About 4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide

4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide (PubChem CID 17477366) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide
PubChem CID17477366
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide
SMILESCCCC(NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C22H24N2O3/c1-2-9-19(16-10-4-3-5-11-16)23-20(25)14-8-15-24-21(26)17-12-6-7-13-18(17)22(24)27/h3-7,10-13,19H,2,8-9,14-15H2,1H3,(H,23,25)
InChIKeySNVIRPCQOVVLJD-UHFFFAOYSA-N
XLogP3.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.72
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

4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide
CID 92685405
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide
CID 3678187
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8936932
ethyl (3R)-3-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]-3-(4-methylphenyl)propanoate
CID 40849661
ethyl 3-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]-3-(4-methylphenyl)propanoate
CID 5115973
N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide
CID 60849585
3-(1,3-dioxoisoindol-2-yl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797989
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797996
4-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 41014156
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 8759838
3-(1,3-dioxoisoindol-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide
CID 45146224
3-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethylcarbamothioyl)propanamide
CID 19189100

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide (CID 17477366) is 4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide is CCCC(NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide?
The InChIKey is SNVIRPCQOVVLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-2-9-19(16-10-4-3-5-11-16)23-20(25)14-8-15-24-21(26)17-12-6-7-13-18(17)22(24)27/h3-7,10-13,19H,2,8-9,14-15H2,1H3,(H,23,25).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide has a molecular weight of 364.44 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide is sourced from PubChem (CID 17477366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).