2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide

C15H22ClNO3 — CID 103895634

IUPAC2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C15H22ClNO3/c1-10(20-12-9-7-6-8-11(12)16)13(18)17-14(2,3)15(4,5)19/h6-10,19H,1-5H3,(H,17,18)
InChIKeyTXIQEKJZDHYHLA-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.77
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide

2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide (PubChem CID 103895634) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide
PubChem CID103895634
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C15H22ClNO3/c1-10(20-12-9-7-6-8-11(12)16)13(18)17-14(2,3)15(4,5)19/h6-10,19H,1-5H3,(H,17,18)
InChIKeyTXIQEKJZDHYHLA-UHFFFAOYSA-N
XLogP2.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide
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(2R)-2-(2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
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(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
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2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
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(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 42563640
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
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(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
1-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-3-methylthiourea
CID 40645974
2-(2-chlorophenoxy)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
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CID 4932286

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide (CID 103895634) is 2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide is CC(Oc1ccccc1Cl)C(=O)NC(C)(C)C(C)(C)O.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide?
The InChIKey is TXIQEKJZDHYHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-10(20-12-9-7-6-8-11(12)16)13(18)17-14(2,3)15(4,5)19/h6-10,19H,1-5H3,(H,17,18).
What are the key properties of 2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide?
2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide has a molecular weight of 299.80 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide is sourced from PubChem (CID 103895634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).