N-ethenyl-N-[6-[ethenyl(formyl)amino]-3,5-dimethylhexyl]formamide

C14H24N2O2 — CID 89160347

IUPACN-ethenyl-N-[6-[ethenyl(formyl)amino]-3,5-dimethylhexyl]formamide
SMILESC=CN(C=O)CCC(C)CC(C)CN(C=C)C=O
InChIInChI=1S/C14H24N2O2/c1-5-15(11-17)8-7-13(3)9-14(4)10-16(6-2)12-18/h5-6,11-14H,1-2,7-10H2,3-4H3
InChIKeyHHNJHQGDAILCGR-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.24
Rot. Bonds11

About N-ethenyl-N-[6-[ethenyl(formyl)amino]-3,5-dimethylhexyl]formamide

N-ethenyl-N-[6-[ethenyl(formyl)amino]-3,5-dimethylhexyl]formamide (PubChem CID 89160347) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-ethenyl-N-[6-[ethenyl(formyl)amino]-3,5-dimethylhexyl]formamide.

Molecular Properties

Compound NameN-ethenyl-N-[6-[ethenyl(formyl)amino]-3,5-dimethylhexyl]formamide
PubChem CID89160347
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-ethenyl-N-[6-[ethenyl(formyl)amino]-3,5-dimethylhexyl]formamide
SMILESC=CN(C=O)CCC(C)CC(C)CN(C=C)C=O
InChIInChI=1S/C14H24N2O2/c1-5-15(11-17)8-7-13(3)9-14(4)10-16(6-2)12-18/h5-6,11-14H,1-2,7-10H2,3-4H3
InChIKeyHHNJHQGDAILCGR-UHFFFAOYSA-N
XLogP2.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[6-[ethenyl(formyl)amino]-3,5-dimethylhexyl]formamide?
The IUPAC name of N-ethenyl-N-[6-[ethenyl(formyl)amino]-3,5-dimethylhexyl]formamide (CID 89160347) is N-ethenyl-N-[6-[ethenyl(formyl)amino]-3,5-dimethylhexyl]formamide.
What is the SMILES notation for N-ethenyl-N-[6-[ethenyl(formyl)amino]-3,5-dimethylhexyl]formamide?
The canonical SMILES for N-ethenyl-N-[6-[ethenyl(formyl)amino]-3,5-dimethylhexyl]formamide is C=CN(C=O)CCC(C)CC(C)CN(C=C)C=O.
What is the InChIKey of N-ethenyl-N-[6-[ethenyl(formyl)amino]-3,5-dimethylhexyl]formamide?
The InChIKey is HHNJHQGDAILCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-15(11-17)8-7-13(3)9-14(4)10-16(6-2)12-18/h5-6,11-14H,1-2,7-10H2,3-4H3.
What are the key properties of N-ethenyl-N-[6-[ethenyl(formyl)amino]-3,5-dimethylhexyl]formamide?
N-ethenyl-N-[6-[ethenyl(formyl)amino]-3,5-dimethylhexyl]formamide has a molecular weight of 252.36 g/mol, XLogP of 2.24, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-[6-[ethenyl(formyl)amino]-3,5-dimethylhexyl]formamide is sourced from PubChem (CID 89160347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).