3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide

C16H24ClNO3 — CID 103940851

IUPAC3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
SMILESCC(C)(C)C(CCO)NC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C16H24ClNO3/c1-16(2,3)14(8-10-19)18-15(20)9-11-21-13-7-5-4-6-12(13)17/h4-7,14,19H,8-11H2,1-3H3,(H,18,20)
InChIKeyCIWIUFUHBHGUMZ-UHFFFAOYSA-N
MW313.82 g/mol
LogP3.02
Rot. Bonds7

About 3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide

3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide (PubChem CID 103940851) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
PubChem CID103940851
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
SMILESCC(C)(C)C(CCO)NC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C16H24ClNO3/c1-16(2,3)14(8-10-19)18-15(20)9-11-21-13-7-5-4-6-12(13)17/h4-7,14,19H,8-11H2,1-3H3,(H,18,20)
InChIKeyCIWIUFUHBHGUMZ-UHFFFAOYSA-N
XLogP3.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(2-chlorophenoxy)propanoylamino]-4-hydroxybutanoic acid
CID 107822558
2-[3-(2-chlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 43353996
3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 108789472
methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate
CID 60753235
2-[3-(2-chlorophenoxy)propanoylamino]butanoic acid
CID 43469356
3-(2-chlorophenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103798898
3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861871
2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106352989
4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide
CID 94821455
3-[3-(2-chlorophenoxy)propanoylamino]-2-methylpropanoic acid
CID 62676014
(2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide
CID 95158067
4-[3-(2-chlorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002321

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide (CID 103940851) is 3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide is CC(C)(C)C(CCO)NC(=O)CCOc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide?
The InChIKey is CIWIUFUHBHGUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-16(2,3)14(8-10-19)18-15(20)9-11-21-13-7-5-4-6-12(13)17/h4-7,14,19H,8-11H2,1-3H3,(H,18,20).
What are the key properties of 3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide?
3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide has a molecular weight of 313.82 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide is sourced from PubChem (CID 103940851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).