N-(3,7-dimethylocta-2,6-dienylideneamino)-2-phenylcyclopropane-1-carboxamide

C20H26N2O — CID 3098185

IUPACN-(3,7-dimethylocta-2,6-dienylideneamino)-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)=CCCC(C)=CC=NNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C20H26N2O/c1-15(2)8-7-9-16(3)12-13-21-22-20(23)19-14-18(19)17-10-5-4-6-11-17/h4-6,8,10-13,18-19H,7,9,14H2,1-3H3,(H,22,23)
InChIKeyLJARHXKXELULFY-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.58
Rot. Bonds7

About N-(3,7-dimethylocta-2,6-dienylideneamino)-2-phenylcyclopropane-1-carboxamide

N-(3,7-dimethylocta-2,6-dienylideneamino)-2-phenylcyclopropane-1-carboxamide (PubChem CID 3098185) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(3,7-dimethylocta-2,6-dienylideneamino)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,7-dimethylocta-2,6-dienylideneamino)-2-phenylcyclopropane-1-carboxamide
PubChem CID3098185
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-(3,7-dimethylocta-2,6-dienylideneamino)-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)=CCCC(C)=CC=NNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C20H26N2O/c1-15(2)8-7-9-16(3)12-13-21-22-20(23)19-14-18(19)17-10-5-4-6-11-17/h4-6,8,10-13,18-19H,7,9,14H2,1-3H3,(H,22,23)
InChIKeyLJARHXKXELULFY-UHFFFAOYSA-N
XLogP4.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethylocta-2,6-dienylideneamino)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(3,7-dimethylocta-2,6-dienylideneamino)-2-phenylcyclopropane-1-carboxamide (CID 3098185) is N-(3,7-dimethylocta-2,6-dienylideneamino)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,7-dimethylocta-2,6-dienylideneamino)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3,7-dimethylocta-2,6-dienylideneamino)-2-phenylcyclopropane-1-carboxamide is CC(C)=CCCC(C)=CC=NNC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-(3,7-dimethylocta-2,6-dienylideneamino)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is LJARHXKXELULFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(2)8-7-9-16(3)12-13-21-22-20(23)19-14-18(19)17-10-5-4-6-11-17/h4-6,8,10-13,18-19H,7,9,14H2,1-3H3,(H,22,23).
What are the key properties of N-(3,7-dimethylocta-2,6-dienylideneamino)-2-phenylcyclopropane-1-carboxamide?
N-(3,7-dimethylocta-2,6-dienylideneamino)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethylocta-2,6-dienylideneamino)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3098185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).