2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride

C17H25ClN2O3 — CID 119572644

IUPAC2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride
SMILESCC(=O)c1cccc(OC(C)C(=O)NC(C)(CN)C2CC2)c1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-11(20)13-5-4-6-15(9-13)22-12(2)16(21)19-17(3,10-18)14-7-8-14;/h4-6,9,12,14H,7-8,10,18H2,1-3H3,(H,19,21);1H
InChIKeyUIWXNVFGPDLWQK-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.32
Rot. Bonds7

About 2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride

2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride (PubChem CID 119572644) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride
PubChem CID119572644
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride
SMILESCC(=O)c1cccc(OC(C)C(=O)NC(C)(CN)C2CC2)c1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-11(20)13-5-4-6-15(9-13)22-12(2)16(21)19-17(3,10-18)14-7-8-14;/h4-6,9,12,14H,7-8,10,18H2,1-3H3,(H,19,21);1H
InChIKeyUIWXNVFGPDLWQK-UHFFFAOYSA-N
XLogP2.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119572860
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119572861
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 119574218
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide
CID 119575701
2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 43112351
2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride
CID 119382393
N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide
CID 119572563
N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide
CID 81487028
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
cis-(1R,3S)-3-[2-(3-acetylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678358
N-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride
CID 119573018
(2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide
CID 52834656

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride?
The IUPAC name of 2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride (CID 119572644) is 2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride is CC(=O)c1cccc(OC(C)C(=O)NC(C)(CN)C2CC2)c1.Cl.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride?
The InChIKey is UIWXNVFGPDLWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-11(20)13-5-4-6-15(9-13)22-12(2)16(21)19-17(3,10-18)14-7-8-14;/h4-6,9,12,14H,7-8,10,18H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride?
2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119572644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).