7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid

C19H32N2O4 — CID 70475611

IUPAC7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid
SMILESO=C(O)C=CCCCCC1CNC(=O)N1CCC(O)C1CCCCC1
InChIInChI=1S/C19H32N2O4/c22-17(15-8-4-3-5-9-15)12-13-21-16(14-20-19(21)25)10-6-1-2-7-11-18(23)24/h7,11,15-17,22H,1-6,8-10,12-14H2,(H,20,25)(H,23,24)
InChIKeyFULMMCHGDWTRBF-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.91
Rot. Bonds10

About 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid

7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid (PubChem CID 70475611) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid.

Molecular Properties

Compound Name7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid
PubChem CID70475611
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid
SMILESO=C(O)C=CCCCCC1CNC(=O)N1CCC(O)C1CCCCC1
InChIInChI=1S/C19H32N2O4/c22-17(15-8-4-3-5-9-15)12-13-21-16(14-20-19(21)25)10-6-1-2-7-11-18(23)24/h7,11,15-17,22H,1-6,8-10,12-14H2,(H,20,25)(H,23,24)
InChIKeyFULMMCHGDWTRBF-UHFFFAOYSA-N
XLogP2.91
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid?
The IUPAC name of 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid (CID 70475611) is 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid.
What is the SMILES notation for 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid?
The canonical SMILES for 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid is O=C(O)C=CCCCCC1CNC(=O)N1CCC(O)C1CCCCC1.
What is the InChIKey of 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid?
The InChIKey is FULMMCHGDWTRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c22-17(15-8-4-3-5-9-15)12-13-21-16(14-20-19(21)25)10-6-1-2-7-11-18(23)24/h7,11,15-17,22H,1-6,8-10,12-14H2,(H,20,25)(H,23,24).
What are the key properties of 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid?
7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid has a molecular weight of 352.48 g/mol, XLogP of 2.91, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid is sourced from PubChem (CID 70475611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).