N-[(E)-2-(dodecanoylamino)prop-1-enyl]dodecanamide

C27H52N2O2 — CID 87215203

IUPACN-[(E)-2-(dodecanoylamino)prop-1-enyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N/C=C(\C)NC(=O)CCCCCCCCCCC
InChIInChI=1S/C27H52N2O2/c1-4-6-8-10-12-14-16-18-20-22-26(30)28-24-25(3)29-27(31)23-21-19-17-15-13-11-9-7-5-2/h24H,4-23H2,1-3H3,(H,28,30)(H,29,31)/b25-24+
InChIKeyUFARTZVNSJTYLU-OCOZRVBESA-N
MW436.73 g/mol
LogP7.92
Rot. Bonds22

About N-[(E)-2-(dodecanoylamino)prop-1-enyl]dodecanamide

N-[(E)-2-(dodecanoylamino)prop-1-enyl]dodecanamide (PubChem CID 87215203) has the molecular formula C27H52N2O2 and a molecular weight of 436.73 g/mol. Its IUPAC name is N-[(E)-2-(dodecanoylamino)prop-1-enyl]dodecanamide.

Molecular Properties

Compound NameN-[(E)-2-(dodecanoylamino)prop-1-enyl]dodecanamide
PubChem CID87215203
Molecular FormulaC27H52N2O2
Molecular Weight436.73 g/mol
Exact Mass436.40
IUPAC NameN-[(E)-2-(dodecanoylamino)prop-1-enyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N/C=C(\C)NC(=O)CCCCCCCCCCC
InChIInChI=1S/C27H52N2O2/c1-4-6-8-10-12-14-16-18-20-22-26(30)28-24-25(3)29-27(31)23-21-19-17-15-13-11-9-7-5-2/h24H,4-23H2,1-3H3,(H,28,30)(H,29,31)/b25-24+
InChIKeyUFARTZVNSJTYLU-OCOZRVBESA-N
XLogP7.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.73
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(dodecanoylamino)prop-1-enyl]dodecanamide?
The IUPAC name of N-[(E)-2-(dodecanoylamino)prop-1-enyl]dodecanamide (CID 87215203) is N-[(E)-2-(dodecanoylamino)prop-1-enyl]dodecanamide.
What is the SMILES notation for N-[(E)-2-(dodecanoylamino)prop-1-enyl]dodecanamide?
The canonical SMILES for N-[(E)-2-(dodecanoylamino)prop-1-enyl]dodecanamide is CCCCCCCCCCCC(=O)N/C=C(\C)NC(=O)CCCCCCCCCCC.
What is the InChIKey of N-[(E)-2-(dodecanoylamino)prop-1-enyl]dodecanamide?
The InChIKey is UFARTZVNSJTYLU-OCOZRVBESA-N. The full InChI is InChI=1S/C27H52N2O2/c1-4-6-8-10-12-14-16-18-20-22-26(30)28-24-25(3)29-27(31)23-21-19-17-15-13-11-9-7-5-2/h24H,4-23H2,1-3H3,(H,28,30)(H,29,31)/b25-24+.
What are the key properties of N-[(E)-2-(dodecanoylamino)prop-1-enyl]dodecanamide?
N-[(E)-2-(dodecanoylamino)prop-1-enyl]dodecanamide has a molecular weight of 436.73 g/mol, XLogP of 7.92, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(dodecanoylamino)prop-1-enyl]dodecanamide is sourced from PubChem (CID 87215203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).