(Z)-2-(1-hydroxyethyl)-1-imidazolidin-2-yloctadec-9-en-1-one

C23H44N2O2 — CID 174727621

IUPAC(Z)-2-(1-hydroxyethyl)-1-imidazolidin-2-yloctadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCC(C(=O)C1NCCN1)C(C)O
InChIInChI=1S/C23H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(20(2)26)22(27)23-24-18-19-25-23/h10-11,20-21,23-26H,3-9,12-19H2,1-2H3/b11-10-
InChIKeyYDWPQALAUQJCJS-KHPPLWFESA-N
MW380.62 g/mol
LogP4.72
Rot. Bonds17

About (Z)-2-(1-hydroxyethyl)-1-imidazolidin-2-yloctadec-9-en-1-one

(Z)-2-(1-hydroxyethyl)-1-imidazolidin-2-yloctadec-9-en-1-one (PubChem CID 174727621) has the molecular formula C23H44N2O2 and a molecular weight of 380.62 g/mol. Its IUPAC name is (Z)-2-(1-hydroxyethyl)-1-imidazolidin-2-yloctadec-9-en-1-one.

Molecular Properties

Compound Name(Z)-2-(1-hydroxyethyl)-1-imidazolidin-2-yloctadec-9-en-1-one
PubChem CID174727621
Molecular FormulaC23H44N2O2
Molecular Weight380.62 g/mol
Exact Mass380.34
IUPAC Name(Z)-2-(1-hydroxyethyl)-1-imidazolidin-2-yloctadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCC(C(=O)C1NCCN1)C(C)O
InChIInChI=1S/C23H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(20(2)26)22(27)23-24-18-19-25-23/h10-11,20-21,23-26H,3-9,12-19H2,1-2H3/b11-10-
InChIKeyYDWPQALAUQJCJS-KHPPLWFESA-N
XLogP4.72
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.62
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(1-hydroxyethyl)octadec-9-enoic acid
CID 141002833
(E)-2-propan-2-yloctadec-9-enoic acid
CID 21159543
2-[(Z)-heptadec-10-enyl]propanedioic acid
CID 174772234
2-hexadec-7-enylpropanedioic acid
CID 173063889
2-[(Z)-hexadec-7-enyl]propanedioic acid
CID 87263289
3-methyl-2,4-bis[(Z)-octadec-9-enyl]pentanediamide
CID 141159547
(Z)-2-dodecan-2-yloctadec-9-enoic acid
CID 175593918
(Z)-2-docosyl-3-hydroxynonatriacont-18-enoic acid
CID 138454181
heptadec-9-en-2-ol
CID 54154410
(Z)-henicos-12-en-2-ol
CID 141141779
icos-9-en-2-ol
CID 91416664
(Z)-2-icosan-2-yldocos-13-enamide
CID 175222534

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1-hydroxyethyl)-1-imidazolidin-2-yloctadec-9-en-1-one?
The IUPAC name of (Z)-2-(1-hydroxyethyl)-1-imidazolidin-2-yloctadec-9-en-1-one (CID 174727621) is (Z)-2-(1-hydroxyethyl)-1-imidazolidin-2-yloctadec-9-en-1-one.
What is the SMILES notation for (Z)-2-(1-hydroxyethyl)-1-imidazolidin-2-yloctadec-9-en-1-one?
The canonical SMILES for (Z)-2-(1-hydroxyethyl)-1-imidazolidin-2-yloctadec-9-en-1-one is CCCCCCCC/C=C\CCCCCCC(C(=O)C1NCCN1)C(C)O.
What is the InChIKey of (Z)-2-(1-hydroxyethyl)-1-imidazolidin-2-yloctadec-9-en-1-one?
The InChIKey is YDWPQALAUQJCJS-KHPPLWFESA-N. The full InChI is InChI=1S/C23H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(20(2)26)22(27)23-24-18-19-25-23/h10-11,20-21,23-26H,3-9,12-19H2,1-2H3/b11-10-.
What are the key properties of (Z)-2-(1-hydroxyethyl)-1-imidazolidin-2-yloctadec-9-en-1-one?
(Z)-2-(1-hydroxyethyl)-1-imidazolidin-2-yloctadec-9-en-1-one has a molecular weight of 380.62 g/mol, XLogP of 4.72, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-hydroxyethyl)-1-imidazolidin-2-yloctadec-9-en-1-one is sourced from PubChem (CID 174727621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).