N-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-phenylhexanamide

C17H22N2O3 — CID 660913

IUPACN-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-phenylhexanamide
SMILESCCCCCC(=O)N(CN1C(=O)CCC1=O)c1ccccc1
InChIInChI=1S/C17H22N2O3/c1-2-3-5-10-15(20)18(14-8-6-4-7-9-14)13-19-16(21)11-12-17(19)22/h4,6-9H,2-3,5,10-13H2,1H3
InChIKeyTXRVFXDINMFTDC-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.71
Rot. Bonds7

About N-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-phenylhexanamide

N-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-phenylhexanamide (PubChem CID 660913) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-phenylhexanamide.

Molecular Properties

Compound NameN-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-phenylhexanamide
PubChem CID660913
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-phenylhexanamide
SMILESCCCCCC(=O)N(CN1C(=O)CCC1=O)c1ccccc1
InChIInChI=1S/C17H22N2O3/c1-2-3-5-10-15(20)18(14-8-6-4-7-9-14)13-19-16(21)11-12-17(19)22/h4,6-9H,2-3,5,10-13H2,1H3
InChIKeyTXRVFXDINMFTDC-UHFFFAOYSA-N
XLogP2.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Succinanil
CID 66519
2-Methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione
CID 2732733
1-Acetyl-3-phenylimidazolidine-2,4-dione
CID 890978
N,N'-diethyl-N,N'-diphenylhexanediamide
CID 1588111
2-Ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione
CID 6539174
1,2-Dimethyl-4-Phenyl-1,2,4-triazolidine-3,5-dione
CID 6539163
2-(2-Diethylcarbamoylmethyl-3,5-dioxo-4-phenyl-[1,2,4]triazolidin-1-yl)-N,N-diethyl-acetamide
CID 551781
4-Methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
CID 2732726
2-Pyrrolidinone, 1-((4-phenyl-1-piperazinyl)methyl)-
CID 3021274
1-[2-(2-Oxopyrrolidin-1-yl)ethyl]-3-phenylurea
CID 741243
N-ethyl-2-[3-(3-methylbutyl)-2,5-dioxo-1-phenyl-4-imidazolidinyl]acetamide
CID 2983576
N-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide
CID 617161

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-phenylhexanamide?
The IUPAC name of N-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-phenylhexanamide (CID 660913) is N-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-phenylhexanamide.
What is the SMILES notation for N-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-phenylhexanamide?
The canonical SMILES for N-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-phenylhexanamide is CCCCCC(=O)N(CN1C(=O)CCC1=O)c1ccccc1.
What is the InChIKey of N-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-phenylhexanamide?
The InChIKey is TXRVFXDINMFTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-3-5-10-15(20)18(14-8-6-4-7-9-14)13-19-16(21)11-12-17(19)22/h4,6-9H,2-3,5,10-13H2,1H3.
What are the key properties of N-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-phenylhexanamide?
N-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-phenylhexanamide has a molecular weight of 302.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-phenylhexanamide is sourced from PubChem (CID 660913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).