N-[(1R,2S,3R,4R)-2-hydroxy-3,4-dimethyl-2-(4-methylphenyl)cyclobutyl]acetamide

C15H21NO2 — CID 134931324

IUPACN-[(1R,2S,3R,4R)-2-hydroxy-3,4-dimethyl-2-(4-methylphenyl)cyclobutyl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](C)[C@@H](C)[C@]1(O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO2/c1-9-5-7-13(8-6-9)15(18)11(3)10(2)14(15)16-12(4)17/h5-8,10-11,14,18H,1-4H3,(H,16,17)/t10-,11-,14-,15+/m1/s1
InChIKeyBJFXTAMDNQGMMQ-FKGLVLAHSA-N
MW247.34 g/mol
LogP1.97
Rot. Bonds2

About N-[(1R,2S,3R,4R)-2-hydroxy-3,4-dimethyl-2-(4-methylphenyl)cyclobutyl]acetamide

N-[(1R,2S,3R,4R)-2-hydroxy-3,4-dimethyl-2-(4-methylphenyl)cyclobutyl]acetamide (PubChem CID 134931324) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2-hydroxy-3,4-dimethyl-2-(4-methylphenyl)cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2-hydroxy-3,4-dimethyl-2-(4-methylphenyl)cyclobutyl]acetamide
PubChem CID134931324
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(1R,2S,3R,4R)-2-hydroxy-3,4-dimethyl-2-(4-methylphenyl)cyclobutyl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](C)[C@@H](C)[C@]1(O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO2/c1-9-5-7-13(8-6-9)15(18)11(3)10(2)14(15)16-12(4)17/h5-8,10-11,14,18H,1-4H3,(H,16,17)/t10-,11-,14-,15+/m1/s1
InChIKeyBJFXTAMDNQGMMQ-FKGLVLAHSA-N
XLogP1.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

H 29-50
CID 192962
H 35-25
CID 166842
(1R,2S)-1-(4-methylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 40580632
2-Methyl-3-(4-methylphenyl)pyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051396
N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide
CID 22769472
2-(Methylamino)-3-phenylpentan-3-ol--hydrogen chloride (1/1)
CID 32996
3-(Methylamino)-2-phenylbutan-2-ol--hydrogen chloride (1/1)
CID 57616
N-[(2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-methylbutanamide
CID 44421786
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide
CID 56764194
1-Ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-propan-2-ylurea
CID 71863657
N-(2-hydroxy-2-phenylethyl)acetamide
CID 270963
N-(2-hydroxy-2-phenylpropyl)acetamide
CID 11701184

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2-hydroxy-3,4-dimethyl-2-(4-methylphenyl)cyclobutyl]acetamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2-hydroxy-3,4-dimethyl-2-(4-methylphenyl)cyclobutyl]acetamide (CID 134931324) is N-[(1R,2S,3R,4R)-2-hydroxy-3,4-dimethyl-2-(4-methylphenyl)cyclobutyl]acetamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2-hydroxy-3,4-dimethyl-2-(4-methylphenyl)cyclobutyl]acetamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2-hydroxy-3,4-dimethyl-2-(4-methylphenyl)cyclobutyl]acetamide is CC(=O)N[C@@H]1[C@H](C)[C@@H](C)[C@]1(O)c1ccc(C)cc1.
What is the InChIKey of N-[(1R,2S,3R,4R)-2-hydroxy-3,4-dimethyl-2-(4-methylphenyl)cyclobutyl]acetamide?
The InChIKey is BJFXTAMDNQGMMQ-FKGLVLAHSA-N. The full InChI is InChI=1S/C15H21NO2/c1-9-5-7-13(8-6-9)15(18)11(3)10(2)14(15)16-12(4)17/h5-8,10-11,14,18H,1-4H3,(H,16,17)/t10-,11-,14-,15+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2-hydroxy-3,4-dimethyl-2-(4-methylphenyl)cyclobutyl]acetamide?
N-[(1R,2S,3R,4R)-2-hydroxy-3,4-dimethyl-2-(4-methylphenyl)cyclobutyl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2-hydroxy-3,4-dimethyl-2-(4-methylphenyl)cyclobutyl]acetamide is sourced from PubChem (CID 134931324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).