1-aminopropan-2-ol;(Z)-octadec-9-enamide

C21H44N2O2 — CID 174925516

IUPAC1-aminopropan-2-ol;(Z)-octadec-9-enamide
SMILESCC(O)CN.CCCCCCCC/C=C\CCCCCCCC(N)=O
InChIInChI=1S/C18H35NO.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3(5)2-4/h9-10H,2-8,11-17H2,1H3,(H2,19,20);3,5H,2,4H2,1H3/b10-9-;
InChIKeyOYWLAZMHKAZGHE-KVVVOXFISA-N
MW356.60 g/mol
LogP4.84
Rot. Bonds16

About 1-aminopropan-2-ol;(Z)-octadec-9-enamide

1-aminopropan-2-ol;(Z)-octadec-9-enamide (PubChem CID 174925516) has the molecular formula C21H44N2O2 and a molecular weight of 356.60 g/mol. Its IUPAC name is 1-aminopropan-2-ol;(Z)-octadec-9-enamide.

Molecular Properties

Compound Name1-aminopropan-2-ol;(Z)-octadec-9-enamide
PubChem CID174925516
Molecular FormulaC21H44N2O2
Molecular Weight356.60 g/mol
Exact Mass356.34
IUPAC Name1-aminopropan-2-ol;(Z)-octadec-9-enamide
SMILESCC(O)CN.CCCCCCCC/C=C\CCCCCCCC(N)=O
InChIInChI=1S/C18H35NO.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3(5)2-4/h9-10H,2-8,11-17H2,1H3,(H2,19,20);3,5H,2,4H2,1H3/b10-9-;
InChIKeyOYWLAZMHKAZGHE-KVVVOXFISA-N
XLogP4.84
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 54.84
H-Bond Donors ≤ 53
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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Related Compounds

ethanamine;(Z)-octadec-9-enamide
CID 174881781
octadec-9-enamide
CID 75990485
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-octadec-9-enamide;platinum
CID 174872668
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
indigane;(Z)-octadec-9-enamide
CID 174921402
mercury;(Z)-octadec-9-enamide;hydrochloride
CID 175499195
(Z)-octadec-9-enamide;propan-1-ol
CID 174914657

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-ol;(Z)-octadec-9-enamide?
The IUPAC name of 1-aminopropan-2-ol;(Z)-octadec-9-enamide (CID 174925516) is 1-aminopropan-2-ol;(Z)-octadec-9-enamide.
What is the SMILES notation for 1-aminopropan-2-ol;(Z)-octadec-9-enamide?
The canonical SMILES for 1-aminopropan-2-ol;(Z)-octadec-9-enamide is CC(O)CN.CCCCCCCC/C=C\CCCCCCCC(N)=O.
What is the InChIKey of 1-aminopropan-2-ol;(Z)-octadec-9-enamide?
The InChIKey is OYWLAZMHKAZGHE-KVVVOXFISA-N. The full InChI is InChI=1S/C18H35NO.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3(5)2-4/h9-10H,2-8,11-17H2,1H3,(H2,19,20);3,5H,2,4H2,1H3/b10-9-;.
What are the key properties of 1-aminopropan-2-ol;(Z)-octadec-9-enamide?
1-aminopropan-2-ol;(Z)-octadec-9-enamide has a molecular weight of 356.60 g/mol, XLogP of 4.84, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-ol;(Z)-octadec-9-enamide is sourced from PubChem (CID 174925516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).