N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methylphenoxy)propanamide

C16H23NO3 — CID 114631230

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C16H23NO3/c1-10-5-7-12(8-6-10)20-11(2)15(19)17-13-9-14(18)16(13,3)4/h5-8,11,13-14,18H,9H2,1-4H3,(H,17,19)
InChIKeyMZZSVWAKXPLTNW-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.04
Rot. Bonds4

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methylphenoxy)propanamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methylphenoxy)propanamide (PubChem CID 114631230) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methylphenoxy)propanamide
PubChem CID114631230
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C16H23NO3/c1-10-5-7-12(8-6-10)20-11(2)15(19)17-13-9-14(18)16(13,3)4/h5-8,11,13-14,18H,9H2,1-4H3,(H,17,19)
InChIKeyMZZSVWAKXPLTNW-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methylphenoxy)propanamide 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

N-(4-methylcyclohexyl)-2-(4-methylphenoxy)propanamide
CID 42889091
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide
CID 114629421
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
N'-[2-(4-methylphenoxy)propanoyl]cyclopropanecarbohydrazide
CID 51165989
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 119574218
2-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568542
(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide
CID 94665564
(2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27211856
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
2-methyl-2-[2-(4-methylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 120545463

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methylphenoxy)propanamide (CID 114631230) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)NC2CC(O)C2(C)C)cc1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methylphenoxy)propanamide?
The InChIKey is MZZSVWAKXPLTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10-5-7-12(8-6-10)20-11(2)15(19)17-13-9-14(18)16(13,3)4/h5-8,11,13-14,18H,9H2,1-4H3,(H,17,19).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methylphenoxy)propanamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methylphenoxy)propanamide has a molecular weight of 277.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 114631230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).