N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide

C13H17NO2 — CID 167978229

IUPACN-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide
SMILESCC(C)(O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C13H17NO2/c1-13(2,16)10-5-7-11(8-6-10)14-12(15)9-3-4-9/h5-9,16H,3-4H2,1-2H3,(H,14,15)
InChIKeyWOJFXBRSFOWNRA-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.26
Rot. Bonds3

About N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide

N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide (PubChem CID 167978229) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide
PubChem CID167978229
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide
SMILESCC(C)(O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C13H17NO2/c1-13(2,16)10-5-7-11(8-6-10)14-12(15)9-3-4-9/h5-9,16H,3-4H2,1-2H3,(H,14,15)
InChIKeyWOJFXBRSFOWNRA-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide (CID 167978229) is N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide is CC(C)(O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is WOJFXBRSFOWNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,16)10-5-7-11(8-6-10)14-12(15)9-3-4-9/h5-9,16H,3-4H2,1-2H3,(H,14,15).
What are the key properties of N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide?
N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 219.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 167978229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).