N-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]nitrous amide

C23H38N4O4 — CID 145076586

IUPACN-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]nitrous amide
SMILESCC1CCN(C(=O)CCCCCN(N=O)C2CCC(CN3C(=O)CC(C)C3=O)CC2)C1
InChIInChI=1S/C23H38N4O4/c1-17-11-13-25(15-17)21(28)6-4-3-5-12-27(24-31)20-9-7-19(8-10-20)16-26-22(29)14-18(2)23(26)30/h17-20H,3-16H2,1-2H3
InChIKeyKBVYQHXSXAAPJH-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.35
Rot. Bonds10

About N-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]nitrous amide

N-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]nitrous amide (PubChem CID 145076586) has the molecular formula C23H38N4O4 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]nitrous amide.

Molecular Properties

Compound NameN-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]nitrous amide
PubChem CID145076586
Molecular FormulaC23H38N4O4
Molecular Weight434.58 g/mol
Exact Mass434.29
IUPAC NameN-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]nitrous amide
SMILESCC1CCN(C(=O)CCCCCN(N=O)C2CCC(CN3C(=O)CC(C)C3=O)CC2)C1
InChIInChI=1S/C23H38N4O4/c1-17-11-13-25(15-17)21(28)6-4-3-5-12-27(24-31)20-9-7-19(8-10-20)16-26-22(29)14-18(2)23(26)30/h17-20H,3-16H2,1-2H3
InChIKeyKBVYQHXSXAAPJH-UHFFFAOYSA-N
XLogP3.35
TPSA90.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen
CID 145076822
3-tert-butyl-1-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]pyrrolidine-2,5-dione
CID 134403475
1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 134403407
1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione
CID 165403609
3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 145076481
ethane;1-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]pyrrole-2,5-dione
CID 145076820
ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 145431015
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226
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
1-[(4-acetylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione;4-methyl-2-(5-oxohexyl)cyclopentane-1,3-dione
CID 159894172
4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 86899016
(3S)-1,3-dimethylpyrrolidine;ethane;7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanal
CID 145076534

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]nitrous amide?
The IUPAC name of N-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]nitrous amide (CID 145076586) is N-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]nitrous amide.
What is the SMILES notation for N-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]nitrous amide?
The canonical SMILES for N-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]nitrous amide is CC1CCN(C(=O)CCCCCN(N=O)C2CCC(CN3C(=O)CC(C)C3=O)CC2)C1.
What is the InChIKey of N-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]nitrous amide?
The InChIKey is KBVYQHXSXAAPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O4/c1-17-11-13-25(15-17)21(28)6-4-3-5-12-27(24-31)20-9-7-19(8-10-20)16-26-22(29)14-18(2)23(26)30/h17-20H,3-16H2,1-2H3.
What are the key properties of N-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]nitrous amide?
N-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]nitrous amide has a molecular weight of 434.58 g/mol, XLogP of 3.35, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]nitrous amide is sourced from PubChem (CID 145076586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).