2-[[2-(3-hydroxyphenyl)cyclopropyl]methyl]butanamide

C14H19NO2 — CID 174360497

IUPAC2-[[2-(3-hydroxyphenyl)cyclopropyl]methyl]butanamide
SMILESCCC(CC1CC1c1cccc(O)c1)C(N)=O
InChIInChI=1S/C14H19NO2/c1-2-9(14(15)17)6-11-8-13(11)10-4-3-5-12(16)7-10/h3-5,7,9,11,13,16H,2,6,8H2,1H3,(H2,15,17)
InChIKeyZWSDEYNTOUXRDS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.40
Rot. Bonds5

About 2-[[2-(3-hydroxyphenyl)cyclopropyl]methyl]butanamide

2-[[2-(3-hydroxyphenyl)cyclopropyl]methyl]butanamide (PubChem CID 174360497) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[[2-(3-hydroxyphenyl)cyclopropyl]methyl]butanamide.

Molecular Properties

Compound Name2-[[2-(3-hydroxyphenyl)cyclopropyl]methyl]butanamide
PubChem CID174360497
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[[2-(3-hydroxyphenyl)cyclopropyl]methyl]butanamide
SMILESCCC(CC1CC1c1cccc(O)c1)C(N)=O
InChIInChI=1S/C14H19NO2/c1-2-9(14(15)17)6-11-8-13(11)10-4-3-5-12(16)7-10/h3-5,7,9,11,13,16H,2,6,8H2,1H3,(H2,15,17)
InChIKeyZWSDEYNTOUXRDS-UHFFFAOYSA-N
XLogP2.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2R)-2-(aminomethyl)cyclopropyl]phenol
CID 105432221
3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol
CID 82616502
3-[2-(difluoromethyl)cyclopropyl]phenol
CID 115016629
3-[(1S,2R)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl]phenol
CID 161332431
[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium
CID 58810692
1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea
CID 57209733
3-[4-(aminomethyl)piperidin-3-yl]phenol
CID 82610660
3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane
CID 142251041
[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride
CID 158588851
3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol
CID 132554060
3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten
CID 59930174
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120749321

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-hydroxyphenyl)cyclopropyl]methyl]butanamide?
The IUPAC name of 2-[[2-(3-hydroxyphenyl)cyclopropyl]methyl]butanamide (CID 174360497) is 2-[[2-(3-hydroxyphenyl)cyclopropyl]methyl]butanamide.
What is the SMILES notation for 2-[[2-(3-hydroxyphenyl)cyclopropyl]methyl]butanamide?
The canonical SMILES for 2-[[2-(3-hydroxyphenyl)cyclopropyl]methyl]butanamide is CCC(CC1CC1c1cccc(O)c1)C(N)=O.
What is the InChIKey of 2-[[2-(3-hydroxyphenyl)cyclopropyl]methyl]butanamide?
The InChIKey is ZWSDEYNTOUXRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-9(14(15)17)6-11-8-13(11)10-4-3-5-12(16)7-10/h3-5,7,9,11,13,16H,2,6,8H2,1H3,(H2,15,17).
What are the key properties of 2-[[2-(3-hydroxyphenyl)cyclopropyl]methyl]butanamide?
2-[[2-(3-hydroxyphenyl)cyclopropyl]methyl]butanamide has a molecular weight of 233.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-hydroxyphenyl)cyclopropyl]methyl]butanamide is sourced from PubChem (CID 174360497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).