N-(2,6-diethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C17H22N2O3 — CID 18089552

IUPACN-(2,6-diethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C17H22N2O3/c1-3-12-6-5-7-13(4-2)17(12)18-14(20)10-11-19-15(21)8-9-16(19)22/h5-7H,3-4,8-11H2,1-2H3,(H,18,20)
InChIKeyVBDAVGCNVYVWDS-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.29
Rot. Bonds6

About N-(2,6-diethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-(2,6-diethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 18089552) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID18089552
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(2,6-diethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C17H22N2O3/c1-3-12-6-5-7-13(4-2)17(12)18-14(20)10-11-19-15(21)8-9-16(19)22/h5-7H,3-4,8-11H2,1-2H3,(H,18,20)
InChIKeyVBDAVGCNVYVWDS-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.29
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-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 723292
N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
N-(2,6-diethylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17498460
N-(2,6-diethylphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 1189023
N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17466104
N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 36662901
N-(2-ethyl-6-methylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 110688197
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 17034881
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 18128156
N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027339
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-3-nitrophenyl)propanamide
CID 29354387
N-(2,6-diethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763943

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 18089552) is N-(2,6-diethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is CCc1cccc(CC)c1NC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of N-(2,6-diethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is VBDAVGCNVYVWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-12-6-5-7-13(4-2)17(12)18-14(20)10-11-19-15(21)8-9-16(19)22/h5-7H,3-4,8-11H2,1-2H3,(H,18,20).
What are the key properties of N-(2,6-diethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-(2,6-diethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 302.37 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 18089552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).