N-pentyl-2-phenylcyclopropane-1-carboxamide

C15H21NO — CID 4667673

IUPACN-pentyl-2-phenylcyclopropane-1-carboxamide
SMILESCCCCCNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H21NO/c1-2-3-7-10-16-15(17)14-11-13(14)12-8-5-4-6-9-12/h4-6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,16,17)
InChIKeyGBSXFTQPXFAQBC-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.10
Rot. Bonds6

About N-pentyl-2-phenylcyclopropane-1-carboxamide

N-pentyl-2-phenylcyclopropane-1-carboxamide (PubChem CID 4667673) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-pentyl-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-pentyl-2-phenylcyclopropane-1-carboxamide
PubChem CID4667673
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-pentyl-2-phenylcyclopropane-1-carboxamide
SMILESCCCCCNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H21NO/c1-2-3-7-10-16-15(17)14-11-13(14)12-8-5-4-6-9-12/h4-6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,16,17)
InChIKeyGBSXFTQPXFAQBC-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.10
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-pentyl-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-pentyl-2-phenylcyclopropane-1-carboxamide (CID 4667673) is N-pentyl-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-pentyl-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-pentyl-2-phenylcyclopropane-1-carboxamide is CCCCCNC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-pentyl-2-phenylcyclopropane-1-carboxamide?
The InChIKey is GBSXFTQPXFAQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-3-7-10-16-15(17)14-11-13(14)12-8-5-4-6-9-12/h4-6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,16,17).
What are the key properties of N-pentyl-2-phenylcyclopropane-1-carboxamide?
N-pentyl-2-phenylcyclopropane-1-carboxamide has a molecular weight of 231.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 4667673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).