N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide

C14H19NO2 — CID 111445427

IUPACN-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC1(O)CCC1
InChIInChI=1S/C14H19NO2/c16-13(15-11-14(17)9-4-10-14)8-7-12-5-2-1-3-6-12/h1-3,5-6,17H,4,7-11H2,(H,15,16)
InChIKeyXETPHYPEALIPEZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.65
Rot. Bonds5

About N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide

N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide (PubChem CID 111445427) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
PubChem CID111445427
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC1(O)CCC1
InChIInChI=1S/C14H19NO2/c16-13(15-11-14(17)9-4-10-14)8-7-12-5-2-1-3-6-12/h1-3,5-6,17H,4,7-11H2,(H,15,16)
InChIKeyXETPHYPEALIPEZ-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64867195
3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111333105
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
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N'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide
CID 111332854
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide
CID 111539734
1-[(2-phenylethylamino)methyl]cyclopentan-1-ol
CID 65105220
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79039118
2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 111428717
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
CID 65119076
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 60971311

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide (CID 111445427) is N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide?
The InChIKey is XETPHYPEALIPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-13(15-11-14(17)9-4-10-14)8-7-12-5-2-1-3-6-12/h1-3,5-6,17H,4,7-11H2,(H,15,16).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide?
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide has a molecular weight of 233.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 111445427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).