N-(2-phenylethyl)cyclopropanecarboxamide

C12H15NO — CID 3700255

IUPACN-(2-phenylethyl)cyclopropanecarboxamide
SMILESO=C(NCCc1ccccc1)C1CC1
InChIInChI=1S/C12H15NO/c14-12(11-6-7-11)13-9-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)
InChIKeyFMZGKCMVTMNFIH-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.76
Rot. Bonds4

About N-(2-phenylethyl)cyclopropanecarboxamide

N-(2-phenylethyl)cyclopropanecarboxamide (PubChem CID 3700255) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-(2-phenylethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)cyclopropanecarboxamide
PubChem CID3700255
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-(2-phenylethyl)cyclopropanecarboxamide
SMILESO=C(NCCc1ccccc1)C1CC1
InChIInChI=1S/C12H15NO/c14-12(11-6-7-11)13-9-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)
InChIKeyFMZGKCMVTMNFIH-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-phenylethyl)cyclopropanecarboxamide (CID 3700255) is N-(2-phenylethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-phenylethyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-phenylethyl)cyclopropanecarboxamide is O=C(NCCc1ccccc1)C1CC1.
What is the InChIKey of N-(2-phenylethyl)cyclopropanecarboxamide?
The InChIKey is FMZGKCMVTMNFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12(11-6-7-11)13-9-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14).
What are the key properties of N-(2-phenylethyl)cyclopropanecarboxamide?
N-(2-phenylethyl)cyclopropanecarboxamide has a molecular weight of 189.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)cyclopropanecarboxamide is sourced from PubChem (CID 3700255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).