2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide

C14H20ClNO2 — CID 133249921

IUPAC2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NC(C)C(C)C
InChIInChI=1S/C14H20ClNO2/c1-9(2)10(3)16-14(17)11(4)18-13-7-5-12(15)6-8-13/h5-11H,1-4H3,(H,16,17)
InChIKeyHDXUWIDBMNSAHS-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.27
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide

2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide (PubChem CID 133249921) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
PubChem CID133249921
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NC(C)C(C)C
InChIInChI=1S/C14H20ClNO2/c1-9(2)10(3)16-14(17)11(4)18-13-7-5-12(15)6-8-13/h5-11H,1-4H3,(H,16,17)
InChIKeyHDXUWIDBMNSAHS-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide
CID 94665564
2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 78780294
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
(2S,3R)-2-[2-(4-chlorophenoxy)propanoylamino]-3-hydroxybutanoic acid
CID 104964891
(2R)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 99130919
2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 53282264
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920103
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
1-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]-3-methylthiourea
CID 7201415
2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
CID 108541480

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide (CID 133249921) is 2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide is CC(Oc1ccc(Cl)cc1)C(=O)NC(C)C(C)C.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide?
The InChIKey is HDXUWIDBMNSAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9(2)10(3)16-14(17)11(4)18-13-7-5-12(15)6-8-13/h5-11H,1-4H3,(H,16,17).
What are the key properties of 2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide?
2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide has a molecular weight of 269.77 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide is sourced from PubChem (CID 133249921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).