2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide

C14H20ClNO3 — CID 64556752

IUPAC2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCCC(C)(CO)NC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-4-14(3,9-17)16-13(18)10(2)19-12-7-5-6-11(15)8-12/h5-8,10,17H,4,9H2,1-3H3,(H,16,18)
InChIKeyRVKMBOVZQHGMGL-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.38
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide

2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide (PubChem CID 64556752) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
PubChem CID64556752
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCCC(C)(CO)NC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-4-14(3,9-17)16-13(18)10(2)19-12-7-5-6-11(15)8-12/h5-8,10,17H,4,9H2,1-3H3,(H,16,18)
InChIKeyRVKMBOVZQHGMGL-UHFFFAOYSA-N
XLogP2.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
CID 966263
N-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 63193676
(2R)-2-(3-chlorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 100585169
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-(2-amino-2-methylpropyl)-2-(3-chlorophenoxy)propanamide
CID 81483033
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide
CID 94012025
2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506597
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
CID 47368061

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide (CID 64556752) is 2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide is CCC(C)(CO)NC(=O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide?
The InChIKey is RVKMBOVZQHGMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-4-14(3,9-17)16-13(18)10(2)19-12-7-5-6-11(15)8-12/h5-8,10,17H,4,9H2,1-3H3,(H,16,18).
What are the key properties of 2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide?
2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide has a molecular weight of 285.77 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 64556752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).