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

C14H20ClNO2 — CID 78780294

IUPAC2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NC(C)C(C)C
InChIInChI=1S/C14H20ClNO2/c1-9(2)10(3)16-14(17)11(4)18-13-7-5-6-12(15)8-13/h5-11H,1-4H3,(H,16,17)
InChIKeyYOXUBQKDPMAHBK-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.27
Rot. Bonds5

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

2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide (PubChem CID 78780294) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
PubChem CID78780294
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NC(C)C(C)C
InChIInChI=1S/C14H20ClNO2/c1-9(2)10(3)16-14(17)11(4)18-13-7-5-6-12(15)8-13/h5-11H,1-4H3,(H,16,17)
InChIKeyYOXUBQKDPMAHBK-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

N-(1-bromo-3-methylbutan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 114316058
2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 133249921
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
2-(3-chlorophenoxy)-N-(1-cyano-2-methylpropyl)propanamide
CID 63931472
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide
CID 120505567
(2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide
CID 40537766
2-(3-chlorophenoxy)-N-heptan-2-ylpropanamide
CID 4097223
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 62227029
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
CID 47368061
(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
CID 966263

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide (CID 78780294) is 2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)NC(C)C(C)C.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide?
The InChIKey is YOXUBQKDPMAHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9(2)10(3)16-14(17)11(4)18-13-7-5-6-12(15)8-13/h5-11H,1-4H3,(H,16,17).
What are the key properties of 2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide?
2-(3-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-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide is sourced from PubChem (CID 78780294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).