N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride

C13H21ClN2O2 — CID 120508578

IUPACN-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
SMILESCc1cccc(OCCC(=O)N[C@@H](C)CN)c1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10-4-3-5-12(8-10)17-7-6-13(16)15-11(2)9-14;/h3-5,8,11H,6-7,9,14H2,1-2H3,(H,15,16);1H/t11-;/m0./s1
InChIKeyPVKIXKPSRWBZFC-MERQFXBCSA-N
MW272.78 g/mol
LogP1.65
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride (PubChem CID 120508578) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
PubChem CID120508578
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
SMILESCc1cccc(OCCC(=O)N[C@@H](C)CN)c1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10-4-3-5-12(8-10)17-7-6-13(16)15-11(2)9-14;/h3-5,8,11H,6-7,9,14H2,1-2H3,(H,15,16);1H/t11-;/m0./s1
InChIKeyPVKIXKPSRWBZFC-MERQFXBCSA-N
XLogP1.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-chloropropan-2-yl)-3-(3-methylphenoxy)propanamide
CID 114299616
N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide
CID 110834120
N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(3-methylphenoxy)propanamide
CID 62094235
N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 120506795
3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
CID 43006794
(2S)-3-methyl-2-[3-(3-methylphenoxy)propanoylamino]pentanoic acid
CID 61174129
N-(1-iodo-3-methylbutan-2-yl)-3-(3-methylphenoxy)propanamide
CID 107860093
N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride
CID 119497343
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide
CID 2469859
(2S)-3,3-dimethyl-2-[3-(3-methylphenoxy)propanoylamino]butanoic acid
CID 61143659
N-(1-aminopropan-2-yl)-3-(4-propan-2-ylphenoxy)propanamide
CID 110834337
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride (CID 120508578) is N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride is Cc1cccc(OCCC(=O)N[C@@H](C)CN)c1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride?
The InChIKey is PVKIXKPSRWBZFC-MERQFXBCSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-10-4-3-5-12(8-10)17-7-6-13(16)15-11(2)9-14;/h3-5,8,11H,6-7,9,14H2,1-2H3,(H,15,16);1H/t11-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.65, 6 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]-3-(3-methylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 120508578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).