N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide

C15H24N2O3 — CID 120507806

IUPACN-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)N[C@@H](C)CN
InChIInChI=1S/C15H24N2O3/c1-3-19-13-7-4-5-8-14(13)20-10-6-9-15(18)17-12(2)11-16/h4-5,7-8,12H,3,6,9-11,16H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyOCOLKUMIHRBZNF-LBPRGKRZSA-N
MW280.37 g/mol
LogP1.71
Rot. Bonds9

About N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide

N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide (PubChem CID 120507806) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide
PubChem CID120507806
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)N[C@@H](C)CN
InChIInChI=1S/C15H24N2O3/c1-3-19-13-7-4-5-8-14(13)20-10-6-9-15(18)17-12(2)11-16/h4-5,7-8,12H,3,6,9-11,16H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyOCOLKUMIHRBZNF-LBPRGKRZSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminopropan-2-yl)-3-(2-ethoxyphenyl)propanamide
CID 110833199
4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide
CID 112766186
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119585067
N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide
CID 104872961
5-(2-ethoxyphenoxy)pentanehydrazide
CID 63575982
4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 7928453
ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate
CID 61343880
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide
CID 94821455
N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 120506795

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide (CID 120507806) is N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide is CCOc1ccccc1OCCCC(=O)N[C@@H](C)CN.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide?
The InChIKey is OCOLKUMIHRBZNF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-19-13-7-4-5-8-14(13)20-10-6-9-15(18)17-12(2)11-16/h4-5,7-8,12H,3,6,9-11,16H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide?
N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide has a molecular weight of 280.37 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide is sourced from PubChem (CID 120507806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).