N-octyl-2-phenylcyclopropane-1-carboxamide

C18H27NO — CID 3093199

IUPACN-octyl-2-phenylcyclopropane-1-carboxamide
SMILESCCCCCCCCNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C18H27NO/c1-2-3-4-5-6-10-13-19-18(20)17-14-16(17)15-11-8-7-9-12-15/h7-9,11-12,16-17H,2-6,10,13-14H2,1H3,(H,19,20)
InChIKeyJXEGSAMPGXCVQA-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.27
Rot. Bonds9

About N-octyl-2-phenylcyclopropane-1-carboxamide

N-octyl-2-phenylcyclopropane-1-carboxamide (PubChem CID 3093199) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-octyl-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-octyl-2-phenylcyclopropane-1-carboxamide
PubChem CID3093199
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-octyl-2-phenylcyclopropane-1-carboxamide
SMILESCCCCCCCCNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C18H27NO/c1-2-3-4-5-6-10-13-19-18(20)17-14-16(17)15-11-8-7-9-12-15/h7-9,11-12,16-17H,2-6,10,13-14H2,1H3,(H,19,20)
InChIKeyJXEGSAMPGXCVQA-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-octyl-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-octyl-2-phenylcyclopropane-1-carboxamide (CID 3093199) is N-octyl-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-octyl-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-octyl-2-phenylcyclopropane-1-carboxamide is CCCCCCCCNC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-octyl-2-phenylcyclopropane-1-carboxamide?
The InChIKey is JXEGSAMPGXCVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-3-4-5-6-10-13-19-18(20)17-14-16(17)15-11-8-7-9-12-15/h7-9,11-12,16-17H,2-6,10,13-14H2,1H3,(H,19,20).
What are the key properties of N-octyl-2-phenylcyclopropane-1-carboxamide?
N-octyl-2-phenylcyclopropane-1-carboxamide has a molecular weight of 273.42 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3093199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).