2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide

C24H38N4O7 — CID 157128199

IUPAC2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide
SMILESO=C(NCCCC(C(=O)NCCCO)C(=O)NCCCO)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C24H38N4O7/c29-14-2-12-26-23(34)19(24(35)27-13-3-15-30)4-1-11-25-22(33)18-7-5-17(6-8-18)16-28-20(31)9-10-21(28)32/h9-10,17-19,29-30H,1-8,11-16H2,(H,25,33)(H,26,34)(H,27,35)
InChIKeyXMYGRCUJAAZXJE-UHFFFAOYSA-N
MW494.59 g/mol
LogP-0.77
Rot. Bonds15

About 2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide

2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide (PubChem CID 157128199) has the molecular formula C24H38N4O7 and a molecular weight of 494.59 g/mol. Its IUPAC name is 2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide.

Molecular Properties

Compound Name2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide
PubChem CID157128199
Molecular FormulaC24H38N4O7
Molecular Weight494.59 g/mol
Exact Mass494.27
IUPAC Name2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide
SMILESO=C(NCCCC(C(=O)NCCCO)C(=O)NCCCO)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C24H38N4O7/c29-14-2-12-26-23(34)19(24(35)27-13-3-15-30)4-1-11-25-22(33)18-7-5-17(6-8-18)16-28-20(31)9-10-21(28)32/h9-10,17-19,29-30H,1-8,11-16H2,(H,25,33)(H,26,34)(H,27,35)
InChIKeyXMYGRCUJAAZXJE-UHFFFAOYSA-N
XLogP-0.77
TPSA165.14 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 5-0.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide 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

4-[(2,5-dioxopyrrol-1-yl)methyl]-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 130219574
2-amino-6-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid
CID 175574435
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide
CID 145077061
N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane
CID 145240187
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-(6-methoxyphosphanyloxyhexyl)cyclohexane-1-carboxamide
CID 177203804
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide;ethane;molecular hydrogen
CID 145077060
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(2-ethylsulfanylcarbothioylsulfanylpropanoylamino)ethyl]cyclohexane-1-carboxamide
CID 167250486
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(2S,4R)-4-hydroxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]-6-oxohexyl]cyclohexane-1-carboxamide
CID 171807632
4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide
CID 4200874
CID 158801537
CID 158801537
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[5-[hydroxy(4-oxobutanoyl)amino]pentyl]cyclohexane-1-carboxamide
CID 88942001
2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 176610974

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide?
The IUPAC name of 2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide (CID 157128199) is 2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide.
What is the SMILES notation for 2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide?
The canonical SMILES for 2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide is O=C(NCCCC(C(=O)NCCCO)C(=O)NCCCO)C1CCC(CN2C(=O)C=CC2=O)CC1.
What is the InChIKey of 2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide?
The InChIKey is XMYGRCUJAAZXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O7/c29-14-2-12-26-23(34)19(24(35)27-13-3-15-30)4-1-11-25-22(33)18-7-5-17(6-8-18)16-28-20(31)9-10-21(28)32/h9-10,17-19,29-30H,1-8,11-16H2,(H,25,33)(H,26,34)(H,27,35).
What are the key properties of 2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide?
2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide has a molecular weight of 494.59 g/mol, XLogP of -0.77, 15 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide is sourced from PubChem (CID 157128199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).