N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide

C14H22N2O3 — CID 17034995

IUPACN-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)NC1CCCCC1
InChIInChI=1S/C14H22N2O3/c17-12(15-11-5-2-1-3-6-11)7-4-10-16-13(18)8-9-14(16)19/h11H,1-10H2,(H,15,17)
InChIKeyLDBBERVQLBNQEA-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.36
Rot. Bonds5

About N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide

N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide (PubChem CID 17034995) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
PubChem CID17034995
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)NC1CCCCC1
InChIInChI=1S/C14H22N2O3/c17-12(15-11-5-2-1-3-6-11)7-4-10-16-13(18)8-9-14(16)19/h11H,1-10H2,(H,15,17)
InChIKeyLDBBERVQLBNQEA-UHFFFAOYSA-N
XLogP1.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 60667695
4-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-cyclododecylbutanamide
CID 8835256
N-cycloheptyl-4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)butanamide
CID 6462146
4-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-cyclododecylbutanamide
CID 8835252
4-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-cyclooctylbutanamide
CID 8835283
N-cyclopentyl-4-[(5E)-5-[3-[4-(cyclopentylamino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
CID 6201434
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide
CID 36597584
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 55952841
N-cyclohexyl-5-hydroxypentanamide
CID 11367641
5-chloro-N-cyclooctylpentanamide
CID 28733608
N-cyclohexyl-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034044
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]acetamide
CID 139516879

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide (CID 17034995) is N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide is O=C(CCCN1C(=O)CCC1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The InChIKey is LDBBERVQLBNQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-12(15-11-5-2-1-3-6-11)7-4-10-16-13(18)8-9-14(16)19/h11H,1-10H2,(H,15,17).
What are the key properties of N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide has a molecular weight of 266.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 17034995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).