N-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide

C17H27N5O6 — CID 173041164

IUPACN-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide
SMILESO=CNC(CCCCC(=O)NCCNC(=O)CCN1C(=O)CCC1=O)NC=O
InChIInChI=1S/C17H27N5O6/c23-11-20-13(21-12-24)3-1-2-4-14(25)18-8-9-19-15(26)7-10-22-16(27)5-6-17(22)28/h11-13H,1-10H2,(H,18,25)(H,19,26)(H,20,23)(H,21,24)
InChIKeyWFOFGOPFMNEDLZ-UHFFFAOYSA-N
MW397.43 g/mol
LogP-1.86
Rot. Bonds15

About N-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide

N-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide (PubChem CID 173041164) has the molecular formula C17H27N5O6 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide.

Molecular Properties

Compound NameN-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide
PubChem CID173041164
Molecular FormulaC17H27N5O6
Molecular Weight397.43 g/mol
Exact Mass397.20
IUPAC NameN-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide
SMILESO=CNC(CCCCC(=O)NCCNC(=O)CCN1C(=O)CCC1=O)NC=O
InChIInChI=1S/C17H27N5O6/c23-11-20-13(21-12-24)3-1-2-4-14(25)18-8-9-19-15(26)7-10-22-16(27)5-6-17(22)28/h11-13H,1-10H2,(H,18,25)(H,19,26)(H,20,23)(H,21,24)
InChIKeyWFOFGOPFMNEDLZ-UHFFFAOYSA-N
XLogP-1.86
TPSA153.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide
CID 173035040
6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid
CID 43352928
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103767593
N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17035020
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide
CID 165403538
N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 47021847
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 59828138
1-[[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445266
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3-methylbutanoic acid
CID 81063012
N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 118907319
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 32644530
N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 104857888

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide?
The IUPAC name of N-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide (CID 173041164) is N-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide.
What is the SMILES notation for N-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide?
The canonical SMILES for N-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide is O=CNC(CCCCC(=O)NCCNC(=O)CCN1C(=O)CCC1=O)NC=O.
What is the InChIKey of N-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide?
The InChIKey is WFOFGOPFMNEDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O6/c23-11-20-13(21-12-24)3-1-2-4-14(25)18-8-9-19-15(26)7-10-22-16(27)5-6-17(22)28/h11-13H,1-10H2,(H,18,25)(H,19,26)(H,20,23)(H,21,24).
What are the key properties of N-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide?
N-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide has a molecular weight of 397.43 g/mol, XLogP of -1.86, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide is sourced from PubChem (CID 173041164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).