2-amino-N-[(3E,12Z)-2-oxononadeca-3,12-dienyl]acetamide

C21H38N2O2 — CID 144912619

IUPAC2-amino-N-[(3E,12Z)-2-oxononadeca-3,12-dienyl]acetamide
SMILESCCCCCC/C=C\CCCCCCC/C=C/C(=O)CNC(=O)CN
InChIInChI=1S/C21H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)19-23-21(25)18-22/h7-8,16-17H,2-6,9-15,18-19,22H2,1H3,(H,23,25)/b8-7-,17-16+
InChIKeyWLDLUQZJWDTLGA-MDTHSCKASA-N
MW350.55 g/mol
LogP4.44
Rot. Bonds17

About 2-amino-N-[(3E,12Z)-2-oxononadeca-3,12-dienyl]acetamide

2-amino-N-[(3E,12Z)-2-oxononadeca-3,12-dienyl]acetamide (PubChem CID 144912619) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-amino-N-[(3E,12Z)-2-oxononadeca-3,12-dienyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(3E,12Z)-2-oxononadeca-3,12-dienyl]acetamide
PubChem CID144912619
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name2-amino-N-[(3E,12Z)-2-oxononadeca-3,12-dienyl]acetamide
SMILESCCCCCC/C=C\CCCCCCC/C=C/C(=O)CNC(=O)CN
InChIInChI=1S/C21H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)19-23-21(25)18-22/h7-8,16-17H,2-6,9-15,18-19,22H2,1H3,(H,23,25)/b8-7-,17-16+
InChIKeyWLDLUQZJWDTLGA-MDTHSCKASA-N
XLogP4.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 54.44
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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(E)-icos-11-en-10-one
CID 101359358
(Z)-N-(aminomethyl)docos-13-enamide
CID 139970959
docosa-2,13-dienamide
CID 91597038
trideca-2,6-dienamide
CID 163862607
1-deuteriodec-3-en-2-one
CID 175786333
2-[[(Z)-octadec-9-enoyl]amino]acetic acid
CID 6436908
2-[[(Z)-octadec-11-enoyl]amino]acetic acid
CID 135240006
copper;(Z)-octadec-9-en-1-amine;pentane-2,4-dione
CID 174907520
(Z)-non-2-enamide
CID 97047009

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3E,12Z)-2-oxononadeca-3,12-dienyl]acetamide?
The IUPAC name of 2-amino-N-[(3E,12Z)-2-oxononadeca-3,12-dienyl]acetamide (CID 144912619) is 2-amino-N-[(3E,12Z)-2-oxononadeca-3,12-dienyl]acetamide.
What is the SMILES notation for 2-amino-N-[(3E,12Z)-2-oxononadeca-3,12-dienyl]acetamide?
The canonical SMILES for 2-amino-N-[(3E,12Z)-2-oxononadeca-3,12-dienyl]acetamide is CCCCCC/C=C\CCCCCCC/C=C/C(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[(3E,12Z)-2-oxononadeca-3,12-dienyl]acetamide?
The InChIKey is WLDLUQZJWDTLGA-MDTHSCKASA-N. The full InChI is InChI=1S/C21H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)19-23-21(25)18-22/h7-8,16-17H,2-6,9-15,18-19,22H2,1H3,(H,23,25)/b8-7-,17-16+.
What are the key properties of 2-amino-N-[(3E,12Z)-2-oxononadeca-3,12-dienyl]acetamide?
2-amino-N-[(3E,12Z)-2-oxononadeca-3,12-dienyl]acetamide has a molecular weight of 350.55 g/mol, XLogP of 4.44, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3E,12Z)-2-oxononadeca-3,12-dienyl]acetamide is sourced from PubChem (CID 144912619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).