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

C12H15NO2 — CID 47148508

IUPACN-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H15NO2/c1-8-6-11(8)12(15)13-7-9-2-4-10(14)5-3-9/h2-5,8,11,14H,6-7H2,1H3,(H,13,15)
InChIKeyCNNLIHFKLCYLQW-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.66
Rot. Bonds3

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

N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 47148508) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
PubChem CID47148508
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H15NO2/c1-8-6-11(8)12(15)13-7-9-2-4-10(14)5-3-9/h2-5,8,11,14H,6-7H2,1H3,(H,13,15)
InChIKeyCNNLIHFKLCYLQW-UHFFFAOYSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(bromomethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 107233713
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47292025
trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 25344132
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 62501487
N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide
CID 42953153
trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31592161
N-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide
CID 114332153
N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide
CID 113347521
2-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 18119455
cis-(1S,2R)-N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 99845322

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide (CID 47148508) is N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is CNNLIHFKLCYLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-6-11(8)12(15)13-7-9-2-4-10(14)5-3-9/h2-5,8,11,14H,6-7H2,1H3,(H,13,15).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide?
N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 47148508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).