N-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide

C13H19ClN2O2 — CID 63193676

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NC(C)(C)CN
InChIInChI=1S/C13H19ClN2O2/c1-9(12(17)16-13(2,3)8-15)18-11-6-4-5-10(14)7-11/h4-7,9H,8,15H2,1-3H3,(H,16,17)
InChIKeyHULBNZLWUMFIKA-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.96
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide

N-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide (PubChem CID 63193676) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide
PubChem CID63193676
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NC(C)(C)CN
InChIInChI=1S/C13H19ClN2O2/c1-9(12(17)16-13(2,3)8-15)18-11-6-4-5-10(14)7-11/h4-7,9H,8,15H2,1-3H3,(H,16,17)
InChIKeyHULBNZLWUMFIKA-UHFFFAOYSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
CID 966263
(2R)-2-(3-chlorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 100585169
2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64556752
N-(2-amino-2-methylpropyl)-2-(3-chlorophenoxy)propanamide
CID 81483033
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-cyclopropylpropanamide
CID 7722254
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide
CID 94012025
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxypropanamide
CID 119608690
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide (CID 63193676) is N-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide is CC(Oc1cccc(Cl)c1)C(=O)NC(C)(C)CN.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide?
The InChIKey is HULBNZLWUMFIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(12(17)16-13(2,3)8-15)18-11-6-4-5-10(14)7-11/h4-7,9H,8,15H2,1-3H3,(H,16,17).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide?
N-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide has a molecular weight of 270.76 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 63193676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).