N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide

C12H17ClN2O2 — CID 120505567

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N[C@@H](C)CN
InChIInChI=1S/C12H17ClN2O2/c1-8(7-14)15-12(16)9(2)17-11-5-3-4-10(13)6-11/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)/t8-,9?/m0/s1
InChIKeyALDDNLPUKPCVDG-IENPIDJESA-N
MW256.73 g/mol
LogP1.57
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide

N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide (PubChem CID 120505567) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide
PubChem CID120505567
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N[C@@H](C)CN
InChIInChI=1S/C12H17ClN2O2/c1-8(7-14)15-12(16)9(2)17-11-5-3-4-10(13)6-11/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)/t8-,9?/m0/s1
InChIKeyALDDNLPUKPCVDG-IENPIDJESA-N
XLogP1.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride
CID 119586806
(2R)-2-(3-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2169959
(2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide
CID 40537766
2-(3-chlorophenoxy)-N-heptan-2-ylpropanamide
CID 4097223
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 78780294
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
CID 47368061
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 62227029
N-[(2R)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)acetamide
CID 104872802
N-(1-bromo-3-methylbutan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 114316058

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide (CID 120505567) is N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide is CC(Oc1cccc(Cl)c1)C(=O)N[C@@H](C)CN.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide?
The InChIKey is ALDDNLPUKPCVDG-IENPIDJESA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8(7-14)15-12(16)9(2)17-11-5-3-4-10(13)6-11/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)/t8-,9?/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide?
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide has a molecular weight of 256.73 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 120505567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).