N-(2-ethenylphenyl)-N-(4-methylpent-1-en-3-yl)formamide

C15H19NO — CID 53309157

IUPACN-(2-ethenylphenyl)-N-(4-methylpent-1-en-3-yl)formamide
SMILESC=Cc1ccccc1N(C=O)C(C=C)C(C)C
InChIInChI=1S/C15H19NO/c1-5-13-9-7-8-10-15(13)16(11-17)14(6-2)12(3)4/h5-12,14H,1-2H2,3-4H3
InChIKeyDDTRAOONFGQKKE-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.50
Rot. Bonds6

About N-(2-ethenylphenyl)-N-(4-methylpent-1-en-3-yl)formamide

N-(2-ethenylphenyl)-N-(4-methylpent-1-en-3-yl)formamide (PubChem CID 53309157) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2-ethenylphenyl)-N-(4-methylpent-1-en-3-yl)formamide.

Molecular Properties

Compound NameN-(2-ethenylphenyl)-N-(4-methylpent-1-en-3-yl)formamide
PubChem CID53309157
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-(2-ethenylphenyl)-N-(4-methylpent-1-en-3-yl)formamide
SMILESC=Cc1ccccc1N(C=O)C(C=C)C(C)C
InChIInChI=1S/C15H19NO/c1-5-13-9-7-8-10-15(13)16(11-17)14(6-2)12(3)4/h5-12,14H,1-2H2,3-4H3
InChIKeyDDTRAOONFGQKKE-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2-but-3-en-2-ylphenyl)-methylcarbamic acid
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethenylphenyl)-N-(4-methylpent-1-en-3-yl)formamide?
The IUPAC name of N-(2-ethenylphenyl)-N-(4-methylpent-1-en-3-yl)formamide (CID 53309157) is N-(2-ethenylphenyl)-N-(4-methylpent-1-en-3-yl)formamide.
What is the SMILES notation for N-(2-ethenylphenyl)-N-(4-methylpent-1-en-3-yl)formamide?
The canonical SMILES for N-(2-ethenylphenyl)-N-(4-methylpent-1-en-3-yl)formamide is C=Cc1ccccc1N(C=O)C(C=C)C(C)C.
What is the InChIKey of N-(2-ethenylphenyl)-N-(4-methylpent-1-en-3-yl)formamide?
The InChIKey is DDTRAOONFGQKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-5-13-9-7-8-10-15(13)16(11-17)14(6-2)12(3)4/h5-12,14H,1-2H2,3-4H3.
What are the key properties of N-(2-ethenylphenyl)-N-(4-methylpent-1-en-3-yl)formamide?
N-(2-ethenylphenyl)-N-(4-methylpent-1-en-3-yl)formamide has a molecular weight of 229.32 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenylphenyl)-N-(4-methylpent-1-en-3-yl)formamide is sourced from PubChem (CID 53309157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).