N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide

C13H17NO2 — CID 47292025

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C13H17NO2/c1-9-8-12(9)13(16)14-7-6-10-2-4-11(15)5-3-10/h2-5,9,12,15H,6-8H2,1H3,(H,14,16)
InChIKeyYJKGKTVIJZWYJW-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.71
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 47292025) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID47292025
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C13H17NO2/c1-9-8-12(9)13(16)14-7-6-10-2-4-11(15)5-3-10/h2-5,9,12,15H,6-8H2,1H3,(H,14,16)
InChIKeyYJKGKTVIJZWYJW-UHFFFAOYSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 47148508
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
tert-butyl (3R,4R)-3,4-bis[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 154961403
N-[2-(4-hydroxyphenyl)ethyl]cyclooctanecarboxamide
CID 65023099
N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 62501487
2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide
CID 47043798
N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 110612039
(2S)-2-N-[2-(4-hydroxyphenyl)ethyl]-1-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]cyclopropane-1,2-dicarboxamide
CID 90047899
2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792833
N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602898
cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95287116
1-N-[2-(4-fluorophenyl)ethyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130460

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide (CID 47292025) is N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is YJKGKTVIJZWYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-8-12(9)13(16)14-7-6-10-2-4-11(15)5-3-10/h2-5,9,12,15H,6-8H2,1H3,(H,14,16).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 47292025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).