10-(8-amino-8-oxooctyl)nonadec-9-enediamide

C27H51N3O3 — CID 54259378

IUPAC10-(8-amino-8-oxooctyl)nonadec-9-enediamide
SMILESNC(=O)CCCCCCCC=C(CCCCCCCCC(N)=O)CCCCCCCC(N)=O
InChIInChI=1S/C27H51N3O3/c28-25(31)21-15-9-3-1-6-12-18-24(20-14-8-5-11-17-23-27(30)33)19-13-7-2-4-10-16-22-26(29)32/h18H,1-17,19-23H2,(H2,28,31)(H2,29,32)(H2,30,33)
InChIKeyRCJZBOYGPSTFQQ-UHFFFAOYSA-N
MW465.72 g/mol
LogP5.95
Rot. Bonds25

About 10-(8-amino-8-oxooctyl)nonadec-9-enediamide

10-(8-amino-8-oxooctyl)nonadec-9-enediamide (PubChem CID 54259378) has the molecular formula C27H51N3O3 and a molecular weight of 465.72 g/mol. Its IUPAC name is 10-(8-amino-8-oxooctyl)nonadec-9-enediamide.

Molecular Properties

Compound Name10-(8-amino-8-oxooctyl)nonadec-9-enediamide
PubChem CID54259378
Molecular FormulaC27H51N3O3
Molecular Weight465.72 g/mol
Exact Mass465.39
IUPAC Name10-(8-amino-8-oxooctyl)nonadec-9-enediamide
SMILESNC(=O)CCCCCCCC=C(CCCCCCCCC(N)=O)CCCCCCCC(N)=O
InChIInChI=1S/C27H51N3O3/c28-25(31)21-15-9-3-1-6-12-18-24(20-14-8-5-11-17-23-27(30)33)19-13-7-2-4-10-16-22-26(29)32/h18H,1-17,19-23H2,(H2,28,31)(H2,29,32)(H2,30,33)
InChIKeyRCJZBOYGPSTFQQ-UHFFFAOYSA-N
XLogP5.95
TPSA129.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.72
LogP ≤ 55.95
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

20-methylhenicos-19-enamide
CID 87478015
hentetraconta-10,31-dienediamide
CID 175604494
dopentaconta-13,39-dienediamide
CID 154089546
(E)-hexadec-8-enediamide
CID 21140246
pentadecanediamide
CID 87429217
docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
icosa-8,12-dienediamide
CID 154110661
12-oxododecanamide
CID 54019408
17-oxoheptadecanamide
CID 54112129
nonadec-18-enamide
CID 166991988

Frequently Asked Questions

What is the IUPAC name of 10-(8-amino-8-oxooctyl)nonadec-9-enediamide?
The IUPAC name of 10-(8-amino-8-oxooctyl)nonadec-9-enediamide (CID 54259378) is 10-(8-amino-8-oxooctyl)nonadec-9-enediamide.
What is the SMILES notation for 10-(8-amino-8-oxooctyl)nonadec-9-enediamide?
The canonical SMILES for 10-(8-amino-8-oxooctyl)nonadec-9-enediamide is NC(=O)CCCCCCCC=C(CCCCCCCCC(N)=O)CCCCCCCC(N)=O.
What is the InChIKey of 10-(8-amino-8-oxooctyl)nonadec-9-enediamide?
The InChIKey is RCJZBOYGPSTFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51N3O3/c28-25(31)21-15-9-3-1-6-12-18-24(20-14-8-5-11-17-23-27(30)33)19-13-7-2-4-10-16-22-26(29)32/h18H,1-17,19-23H2,(H2,28,31)(H2,29,32)(H2,30,33).
What are the key properties of 10-(8-amino-8-oxooctyl)nonadec-9-enediamide?
10-(8-amino-8-oxooctyl)nonadec-9-enediamide has a molecular weight of 465.72 g/mol, XLogP of 5.95, 25 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(8-amino-8-oxooctyl)nonadec-9-enediamide is sourced from PubChem (CID 54259378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).