N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride

C16H27ClN2O2 — CID 120652172

IUPACN-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C(CC)Oc1cccc(C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-5-15(16(19)18-11-13(4)17-6-2)20-14-9-7-8-12(3)10-14;/h7-10,13,15,17H,5-6,11H2,1-4H3,(H,18,19);1H/t13-,15?;/m1./s1
InChIKeyJFEKKDMFEBPTBA-LKNSGBSQSA-N
MW314.86 g/mol
LogP2.69
Rot. Bonds8

About N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride (PubChem CID 120652172) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride
PubChem CID120652172
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C(CC)Oc1cccc(C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-5-15(16(19)18-11-13(4)17-6-2)20-14-9-7-8-12(3)10-14;/h7-10,13,15,17H,5-6,11H2,1-4H3,(H,18,19);1H/t13-,15?;/m1./s1
InChIKeyJFEKKDMFEBPTBA-LKNSGBSQSA-N
XLogP2.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride
CID 119549172
(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide
CID 92672891
(2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide
CID 40579725
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 92681450
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487
2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 133211130
6-[2-(3-methylphenoxy)butanoylamino]hexanoic acid
CID 119352114
2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide
CID 4980761
2-(3-methylphenoxy)butanoic acid
CID 4778922
2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189216

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride (CID 120652172) is N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride is CCN[C@H](C)CNC(=O)C(CC)Oc1cccc(C)c1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride?
The InChIKey is JFEKKDMFEBPTBA-LKNSGBSQSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-5-15(16(19)18-11-13(4)17-6-2)20-14-9-7-8-12(3)10-14;/h7-10,13,15,17H,5-6,11H2,1-4H3,(H,18,19);1H/t13-,15?;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride is sourced from PubChem (CID 120652172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).