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

C14H19NO2 — CID 139183745

IUPACN-[(1R,2R,4S)-2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](C)C[C@@]1(O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO2/c1-9-4-6-12(7-5-9)14(17)8-10(2)13(14)15-11(3)16/h4-7,10,13,17H,8H2,1-3H3,(H,15,16)/t10-,13+,14+/m0/s1
InChIKeyHEMXNTQNXACGET-ZLKJLUDKSA-N
MW233.31 g/mol
LogP1.73
Rot. Bonds2

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

N-[(1R,2R,4S)-2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide (PubChem CID 139183745) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide
PubChem CID139183745
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(1R,2R,4S)-2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](C)C[C@@]1(O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO2/c1-9-4-6-12(7-5-9)14(17)8-10(2)13(14)15-11(3)16/h4-7,10,13,17H,8H2,1-3H3,(H,15,16)/t10-,13+,14+/m0/s1
InChIKeyHEMXNTQNXACGET-ZLKJLUDKSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1R,2R,4S)-2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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,2R,4S)-2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide?
The IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide (CID 139183745) is N-[(1R,2R,4S)-2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide?
The canonical SMILES for N-[(1R,2R,4S)-2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide is CC(=O)N[C@@H]1[C@@H](C)C[C@@]1(O)c1ccc(C)cc1.
What is the InChIKey of N-[(1R,2R,4S)-2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide?
The InChIKey is HEMXNTQNXACGET-ZLKJLUDKSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-4-6-12(7-5-9)14(17)8-10(2)13(14)15-11(3)16/h4-7,10,13,17H,8H2,1-3H3,(H,15,16)/t10-,13+,14+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide?
N-[(1R,2R,4S)-2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide has a molecular weight of 233.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide is sourced from PubChem (CID 139183745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).