N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride

C15H23ClN2O2 — CID 119615423

IUPACN-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride
SMILESCc1ccc(OC(C)C(=O)NC(CN)C2CC2)cc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-10-3-7-13(8-4-10)19-11(2)15(18)17-14(9-16)12-5-6-12;/h3-4,7-8,11-12,14H,5-6,9,16H2,1-2H3,(H,17,18);1H
InChIKeyZQWRMXYZJXCSJR-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.04
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride (PubChem CID 119615423) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride
PubChem CID119615423
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride
SMILESCc1ccc(OC(C)C(=O)NC(CN)C2CC2)cc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-10-3-7-13(8-4-10)19-11(2)15(18)17-14(9-16)12-5-6-12;/h3-4,7-8,11-12,14H,5-6,9,16H2,1-2H3,(H,17,18);1H
InChIKeyZQWRMXYZJXCSJR-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide
CID 119613985
N-(2-amino-1-cyclopropylethyl)-2-(3,4-dichlorophenoxy)propanamide;hydrochloride
CID 119613645
N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 43419032
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide
CID 94665564
N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119407044
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 119574218
N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 119613885
N-(1-cyclopropylethyl)-2-(4-methoxyphenoxy)propanamide
CID 47140492
N-(4-methylcyclohexyl)-2-(4-methylphenoxy)propanamide
CID 42889091
2-[2-(4-methylphenoxy)propanoylamino]butanoic acid
CID 43387334
N'-[2-(4-methylphenoxy)propanoyl]cyclopropanecarbohydrazide
CID 51165989

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride (CID 119615423) is N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride is Cc1ccc(OC(C)C(=O)NC(CN)C2CC2)cc1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride?
The InChIKey is ZQWRMXYZJXCSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-10-3-7-13(8-4-10)19-11(2)15(18)17-14(9-16)12-5-6-12;/h3-4,7-8,11-12,14H,5-6,9,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119615423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).