N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide

C23H30N6O8 — CID 59156931

IUPACN,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide
SMILESO=C(CCCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O)NCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C23H30N6O8/c30-16(24-10-12-26-18(32)8-14-28-20(34)4-5-21(28)35)2-1-3-17(31)25-11-13-27-19(33)9-15-29-22(36)6-7-23(29)37/h4-7H,1-3,8-15H2,(H,24,30)(H,25,31)(H,26,32)(H,27,33)
InChIKeyOJKHJUXLKUVYNX-UHFFFAOYSA-N
MW518.53 g/mol
LogP-2.75
Rot. Bonds16

About N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide

N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide (PubChem CID 59156931) has the molecular formula C23H30N6O8 and a molecular weight of 518.53 g/mol. Its IUPAC name is N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide
PubChem CID59156931
Molecular FormulaC23H30N6O8
Molecular Weight518.53 g/mol
Exact Mass518.21
IUPAC NameN,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide
SMILESO=C(CCCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O)NCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C23H30N6O8/c30-16(24-10-12-26-18(32)8-14-28-20(34)4-5-21(28)35)2-1-3-17(31)25-11-13-27-19(33)9-15-29-22(36)6-7-23(29)37/h4-7H,1-3,8-15H2,(H,24,30)(H,25,31)(H,26,32)(H,27,33)
InChIKeyOJKHJUXLKUVYNX-UHFFFAOYSA-N
XLogP-2.75
TPSA191.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.53
LogP ≤ 5-2.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[bis[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethyl]amino]ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide
CID 15755512
6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide
CID 23516853
Bis-Maleimide amine
CID 51340937
N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(methylamino)pentanediamide
CID 58340933
5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-propan-2-ylpentanamide
CID 58370728
N-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-N'-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(methylamino)pentanediamide
CID 58402734
N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-ethoxypropanoylamino)pentanediamide
CID 58841261
3-acetyl-N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide
CID 59156922
N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-methylpentanediamide
CID 59156937
N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(pentanoylamino)pentanediamide
CID 59197752
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide
CID 59281652
N-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 59281654

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide?
The IUPAC name of N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide (CID 59156931) is N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide.
What is the SMILES notation for N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide?
The canonical SMILES for N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide is O=C(CCCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O)NCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide?
The InChIKey is OJKHJUXLKUVYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O8/c30-16(24-10-12-26-18(32)8-14-28-20(34)4-5-21(28)35)2-1-3-17(31)25-11-13-27-19(33)9-15-29-22(36)6-7-23(29)37/h4-7H,1-3,8-15H2,(H,24,30)(H,25,31)(H,26,32)(H,27,33).
What are the key properties of N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide?
N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide has a molecular weight of 518.53 g/mol, XLogP of -2.75, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]pentanediamide is sourced from PubChem (CID 59156931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).