N-(2-hydroxy-2-methyl-4-phenylbutyl)cyclobutanecarboxamide

C16H23NO2 — CID 52992671

IUPACN-(2-hydroxy-2-methyl-4-phenylbutyl)cyclobutanecarboxamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)C1CCC1
InChIInChI=1S/C16H23NO2/c1-16(19,11-10-13-6-3-2-4-7-13)12-17-15(18)14-8-5-9-14/h2-4,6-7,14,19H,5,8-12H2,1H3,(H,17,18)
InChIKeyMMSAKKNIIZDMJO-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.29
Rot. Bonds6

About N-(2-hydroxy-2-methyl-4-phenylbutyl)cyclobutanecarboxamide

N-(2-hydroxy-2-methyl-4-phenylbutyl)cyclobutanecarboxamide (PubChem CID 52992671) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-4-phenylbutyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-4-phenylbutyl)cyclobutanecarboxamide
PubChem CID52992671
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-(2-hydroxy-2-methyl-4-phenylbutyl)cyclobutanecarboxamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)C1CCC1
InChIInChI=1S/C16H23NO2/c1-16(19,11-10-13-6-3-2-4-7-13)12-17-15(18)14-8-5-9-14/h2-4,6-7,14,19H,5,8-12H2,1H3,(H,17,18)
InChIKeyMMSAKKNIIZDMJO-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Methylpentanoyl)-L-Phenylalanine
CID 28777137
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methyl-3-phenylpropanamide
CID 5459524
(R,5Z,8Z,11Z,14Z)-N-(1-hydroxypropan-2-yl)-19-phenylnonadeca-5,8,11,14-tetraenamide
CID 44563678
(R,5Z,8Z,11Z,14Z)-N-(1-hydroxypropan-2-yl)-20-phenylicosa-5,8,11,14-tetraenamide
CID 44563679
N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 5459522
2-hydroxy-2-methyl-N-(2-phenylethyl)propanamide
CID 71525164
8-hydroxy-N-(2-phenylethyl)pentadecanamide
CID 11726119
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 42364047
2-(2-Methylpropanamido)-3-phenylpropanoic acid
CID 11118012
12-[[(E)-4-phenylbut-3-enoyl]amino]dodecanoic acid
CID 10498691
9-[[(E)-4-phenylbut-3-enoyl]amino]nonanoic acid
CID 10543538
N-[(2S,3S)-3-fluoro-1-hydroxy-5-phenylpentan-2-yl]hexanamide
CID 10709010

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)cyclobutanecarboxamide (CID 52992671) is N-(2-hydroxy-2-methyl-4-phenylbutyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-4-phenylbutyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-4-phenylbutyl)cyclobutanecarboxamide is CC(O)(CCc1ccccc1)CNC(=O)C1CCC1.
What is the InChIKey of N-(2-hydroxy-2-methyl-4-phenylbutyl)cyclobutanecarboxamide?
The InChIKey is MMSAKKNIIZDMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(19,11-10-13-6-3-2-4-7-13)12-17-15(18)14-8-5-9-14/h2-4,6-7,14,19H,5,8-12H2,1H3,(H,17,18).
What are the key properties of N-(2-hydroxy-2-methyl-4-phenylbutyl)cyclobutanecarboxamide?
N-(2-hydroxy-2-methyl-4-phenylbutyl)cyclobutanecarboxamide has a molecular weight of 261.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-4-phenylbutyl)cyclobutanecarboxamide is sourced from PubChem (CID 52992671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).