4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide

C21H22N2O3 — CID 92685405

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide
SMILESCC[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C21H22N2O3/c1-2-18(15-9-4-3-5-10-15)22-19(24)13-8-14-23-20(25)16-11-6-7-12-17(16)21(23)26/h3-7,9-12,18H,2,8,13-14H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyPUWRSOVUWBANFI-GOSISDBHSA-N
MW350.42 g/mol
LogP3.33
Rot. Bonds7

About 4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide (PubChem CID 92685405) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide
PubChem CID92685405
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide
SMILESCC[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C21H22N2O3/c1-2-18(15-9-4-3-5-10-15)22-19(24)13-8-14-23-20(25)16-11-6-7-12-17(16)21(23)26/h3-7,9-12,18H,2,8,13-14H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyPUWRSOVUWBANFI-GOSISDBHSA-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

4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide
CID 17477366
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
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
N-[1-(4-methylphenyl)propyl]-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanamide
CID 132661233
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide
CID 3678187
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
3-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(1-phenylpropyl)propanamide
CID 132761001
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-pentan-3-ylbutanamide
CID 4810982

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide (CID 92685405) is 4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide is CC[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide?
The InChIKey is PUWRSOVUWBANFI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-18(15-9-4-3-5-10-15)22-19(24)13-8-14-23-20(25)16-11-6-7-12-17(16)21(23)26/h3-7,9-12,18H,2,8,13-14H2,1H3,(H,22,24)/t18-/m1/s1.
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide 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 4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide is sourced from PubChem (CID 92685405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).