(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide

C13H18ClNO2 — CID 966263

IUPAC(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H18ClNO2/c1-9(12(16)15-13(2,3)4)17-11-7-5-6-10(14)8-11/h5-9H,1-4H3,(H,15,16)/t9-/m0/s1
InChIKeyMTAREWFLRITVPG-VIFPVBQESA-N
MW255.75 g/mol
LogP3.02
Rot. Bonds3

About (2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide

(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide (PubChem CID 966263) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
PubChem CID966263
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H18ClNO2/c1-9(12(16)15-13(2,3)4)17-11-7-5-6-10(14)8-11/h5-9H,1-4H3,(H,15,16)/t9-/m0/s1
InChIKeyMTAREWFLRITVPG-VIFPVBQESA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 63193676
2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64556752
(2R)-2-(3-chlorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 100585169
N-tert-butyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78933960
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(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
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 78780294
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide?
The IUPAC name of (2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide (CID 966263) is (2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide is C[C@H](Oc1cccc(Cl)c1)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide?
The InChIKey is MTAREWFLRITVPG-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9(12(16)15-13(2,3)4)17-11-7-5-6-10(14)8-11/h5-9H,1-4H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide?
(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide has a molecular weight of 255.75 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 966263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).