N-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide

C14H19NO3 — CID 46935150

IUPACN-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide
SMILESCOc1cccc(O[C@@H](C)CNC(=O)C2CC2)c1
InChIInChI=1S/C14H19NO3/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyXHYSCFBFJLOLBB-JTQLQIEISA-N
MW249.31 g/mol
LogP1.99
Rot. Bonds6

About N-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide

N-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide (PubChem CID 46935150) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide
PubChem CID46935150
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide
SMILESCOc1cccc(O[C@@H](C)CNC(=O)C2CC2)c1
InChIInChI=1S/C14H19NO3/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyXHYSCFBFJLOLBB-JTQLQIEISA-N
XLogP1.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide (CID 46935150) is N-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide is COc1cccc(O[C@@H](C)CNC(=O)C2CC2)c1.
What is the InChIKey of N-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide?
The InChIKey is XHYSCFBFJLOLBB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide?
N-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide is sourced from PubChem (CID 46935150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).