N-ethenyl-N-[11-[ethenyl(formyl)amino]-3,6,9-trihydroxyundecyl]formamide

C17H30N2O5 — CID 87349654

IUPACN-ethenyl-N-[11-[ethenyl(formyl)amino]-3,6,9-trihydroxyundecyl]formamide
SMILESC=CN(C=O)CCC(O)CCC(O)CCC(O)CCN(C=C)C=O
InChIInChI=1S/C17H30N2O5/c1-3-18(13-20)11-9-16(23)7-5-15(22)6-8-17(24)10-12-19(4-2)14-21/h3-4,13-17,22-24H,1-2,5-12H2
InChIKeyCKHZSKJPDUVUPI-UHFFFAOYSA-N
MW342.44 g/mol
LogP0.61
Rot. Bonds16

About N-ethenyl-N-[11-[ethenyl(formyl)amino]-3,6,9-trihydroxyundecyl]formamide

N-ethenyl-N-[11-[ethenyl(formyl)amino]-3,6,9-trihydroxyundecyl]formamide (PubChem CID 87349654) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-ethenyl-N-[11-[ethenyl(formyl)amino]-3,6,9-trihydroxyundecyl]formamide.

Molecular Properties

Compound NameN-ethenyl-N-[11-[ethenyl(formyl)amino]-3,6,9-trihydroxyundecyl]formamide
PubChem CID87349654
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC NameN-ethenyl-N-[11-[ethenyl(formyl)amino]-3,6,9-trihydroxyundecyl]formamide
SMILESC=CN(C=O)CCC(O)CCC(O)CCC(O)CCN(C=C)C=O
InChIInChI=1S/C17H30N2O5/c1-3-18(13-20)11-9-16(23)7-5-15(22)6-8-17(24)10-12-19(4-2)14-21/h3-4,13-17,22-24H,1-2,5-12H2
InChIKeyCKHZSKJPDUVUPI-UHFFFAOYSA-N
XLogP0.61
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-[11-[ethenyl(formyl)amino]-3,6,9-trihydroxyundecyl]formamide?
The IUPAC name of N-ethenyl-N-[11-[ethenyl(formyl)amino]-3,6,9-trihydroxyundecyl]formamide (CID 87349654) is N-ethenyl-N-[11-[ethenyl(formyl)amino]-3,6,9-trihydroxyundecyl]formamide.
What is the SMILES notation for N-ethenyl-N-[11-[ethenyl(formyl)amino]-3,6,9-trihydroxyundecyl]formamide?
The canonical SMILES for N-ethenyl-N-[11-[ethenyl(formyl)amino]-3,6,9-trihydroxyundecyl]formamide is C=CN(C=O)CCC(O)CCC(O)CCC(O)CCN(C=C)C=O.
What is the InChIKey of N-ethenyl-N-[11-[ethenyl(formyl)amino]-3,6,9-trihydroxyundecyl]formamide?
The InChIKey is CKHZSKJPDUVUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-3-18(13-20)11-9-16(23)7-5-15(22)6-8-17(24)10-12-19(4-2)14-21/h3-4,13-17,22-24H,1-2,5-12H2.
What are the key properties of N-ethenyl-N-[11-[ethenyl(formyl)amino]-3,6,9-trihydroxyundecyl]formamide?
N-ethenyl-N-[11-[ethenyl(formyl)amino]-3,6,9-trihydroxyundecyl]formamide has a molecular weight of 342.44 g/mol, XLogP of 0.61, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-[11-[ethenyl(formyl)amino]-3,6,9-trihydroxyundecyl]formamide is sourced from PubChem (CID 87349654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).