3-(3-chloro-4-methoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide

C16H22ClNO3 — CID 114631252

IUPAC3-(3-chloro-4-methoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CC(O)C2(C)C)cc1Cl
InChIInChI=1S/C16H22ClNO3/c1-16(2)13(9-14(16)19)18-15(20)7-5-10-4-6-12(21-3)11(17)8-10/h4,6,8,13-14,19H,5,7,9H2,1-3H3,(H,18,20)
InChIKeyBUTFQJWTJLIHSP-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.56
Rot. Bonds5

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

3-(3-chloro-4-methoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide (PubChem CID 114631252) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
PubChem CID114631252
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name3-(3-chloro-4-methoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CC(O)C2(C)C)cc1Cl
InChIInChI=1S/C16H22ClNO3/c1-16(2)13(9-14(16)19)18-15(20)7-5-10-4-6-12(21-3)11(17)8-10/h4,6,8,13-14,19H,5,7,9H2,1-3H3,(H,18,20)
InChIKeyBUTFQJWTJLIHSP-UHFFFAOYSA-N
XLogP2.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 60566295
3-[4-[3-(3-chloro-4-methoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252525
3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398
2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114630844
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-hydroxypropanoate
CID 103957889
3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide
CID 55566725
4-(3-chloro-4-methoxyphenyl)butanehydrazide
CID 116843564
3-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60712683
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide
CID 114629941
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66109278
2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-4-methoxybutanoic acid
CID 120703142

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide (CID 114631252) is 3-(3-chloro-4-methoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide is COc1ccc(CCC(=O)NC2CC(O)C2(C)C)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The InChIKey is BUTFQJWTJLIHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-16(2)13(9-14(16)19)18-15(20)7-5-10-4-6-12(21-3)11(17)8-10/h4,6,8,13-14,19H,5,7,9H2,1-3H3,(H,18,20).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
3-(3-chloro-4-methoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide has a molecular weight of 311.81 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide is sourced from PubChem (CID 114631252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).