(Z)-N,N-bis(2-hydroxypropyl)octadec-9-enamide

C24H47NO3 — CID 71587458

IUPAC(Z)-N,N-bis(2-hydroxypropyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CC(C)O)CC(C)O
InChIInChI=1S/C24H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25(20-22(2)26)21-23(3)27/h11-12,22-23,26-27H,4-10,13-21H2,1-3H3/b12-11-
InChIKeyMUTYMGNMGRUBKV-QXMHVHEDSA-N
MW397.64 g/mol
LogP5.61
Rot. Bonds19

About (Z)-N,N-bis(2-hydroxypropyl)octadec-9-enamide

(Z)-N,N-bis(2-hydroxypropyl)octadec-9-enamide (PubChem CID 71587458) has the molecular formula C24H47NO3 and a molecular weight of 397.64 g/mol. Its IUPAC name is (Z)-N,N-bis(2-hydroxypropyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N,N-bis(2-hydroxypropyl)octadec-9-enamide
PubChem CID71587458
Molecular FormulaC24H47NO3
Molecular Weight397.64 g/mol
Exact Mass397.36
IUPAC Name(Z)-N,N-bis(2-hydroxypropyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CC(C)O)CC(C)O
InChIInChI=1S/C24H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25(20-22(2)26)21-23(3)27/h11-12,22-23,26-27H,4-10,13-21H2,1-3H3/b12-11-
InChIKeyMUTYMGNMGRUBKV-QXMHVHEDSA-N
XLogP5.61
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.64
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-bis(2-hydroxypropyl)octadec-9-enamide?
The IUPAC name of (Z)-N,N-bis(2-hydroxypropyl)octadec-9-enamide (CID 71587458) is (Z)-N,N-bis(2-hydroxypropyl)octadec-9-enamide.
What is the SMILES notation for (Z)-N,N-bis(2-hydroxypropyl)octadec-9-enamide?
The canonical SMILES for (Z)-N,N-bis(2-hydroxypropyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(CC(C)O)CC(C)O.
What is the InChIKey of (Z)-N,N-bis(2-hydroxypropyl)octadec-9-enamide?
The InChIKey is MUTYMGNMGRUBKV-QXMHVHEDSA-N. The full InChI is InChI=1S/C24H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25(20-22(2)26)21-23(3)27/h11-12,22-23,26-27H,4-10,13-21H2,1-3H3/b12-11-.
What are the key properties of (Z)-N,N-bis(2-hydroxypropyl)octadec-9-enamide?
(Z)-N,N-bis(2-hydroxypropyl)octadec-9-enamide has a molecular weight of 397.64 g/mol, XLogP of 5.61, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-bis(2-hydroxypropyl)octadec-9-enamide is sourced from PubChem (CID 71587458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).