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

C26H41N3O6 — CID 171807632

IUPAC4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(2S,4R)-4-hydroxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]-6-oxohexyl]cyclohexane-1-carboxamide
SMILESCC(C)OC[C@@H]1C[C@@H](O)CN1C(=O)CCCCCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C26H41N3O6/c1-18(2)35-17-21-14-22(30)16-28(21)23(31)6-4-3-5-13-27-26(34)20-9-7-19(8-10-20)15-29-24(32)11-12-25(29)33/h11-12,18-22,30H,3-10,13-17H2,1-2H3,(H,27,34)/t19?,20?,21-,22+/m0/s1
InChIKeyWPMXUFVIKULMSJ-QZNJRLLKSA-N
MW491.63 g/mol
LogP1.78
Rot. Bonds12

About 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

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 (PubChem CID 171807632) has the molecular formula C26H41N3O6 and a molecular weight of 491.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(2S,4R)-4-hydroxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]-6-oxohexyl]cyclohexane-1-carboxamide
PubChem CID171807632
Molecular FormulaC26H41N3O6
Molecular Weight491.63 g/mol
Exact Mass491.30
IUPAC Name4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(2S,4R)-4-hydroxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]-6-oxohexyl]cyclohexane-1-carboxamide
SMILESCC(C)OC[C@@H]1C[C@@H](O)CN1C(=O)CCCCCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C26H41N3O6/c1-18(2)35-17-21-14-22(30)16-28(21)23(31)6-4-3-5-13-27-26(34)20-9-7-19(8-10-20)15-29-24(32)11-12-25(29)33/h11-12,18-22,30H,3-10,13-17H2,1-2H3,(H,27,34)/t19?,20?,21-,22+/m0/s1
InChIKeyWPMXUFVIKULMSJ-QZNJRLLKSA-N
XLogP1.78
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.63
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 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-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide
CID 157128199
1-[4-hydroxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 166590663
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-methoxyphosphanyloxyhexyl)cyclohexane-1-carboxamide
CID 177203804
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide
CID 145077061
tert-butyl (3R)-3-[[6-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]hexanoylamino]methyl]pyrrolidine-1-carboxylate
CID 118287880
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide;ethane;molecular hydrogen
CID 145077060
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-[5-[hydroxy(4-oxobutanoyl)amino]pentyl]cyclohexane-1-carboxamide
CID 88942001
6-aminohexanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;6-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid
CID 157399231
4-[(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-oxo-6-(3-propan-2-ylpyrrolidin-1-yl)hexyl]cyclohexane-1-carboxamide
CID 145076473

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)OC[C@@H]1C[C@@H](O)CN1C(=O)CCCCCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.
What is the InChIKey of 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?
The InChIKey is WPMXUFVIKULMSJ-QZNJRLLKSA-N. The full InChI is InChI=1S/C26H41N3O6/c1-18(2)35-17-21-14-22(30)16-28(21)23(31)6-4-3-5-13-27-26(34)20-9-7-19(8-10-20)15-29-24(32)11-12-25(29)33/h11-12,18-22,30H,3-10,13-17H2,1-2H3,(H,27,34)/t19?,20?,21-,22+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 491.63 g/mol, XLogP of 1.78, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171807632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).