N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride

C16H27ClN2O2 — CID 119504142

IUPACN-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCNCCNC(=O)C(C)Oc1ccc(C(C)C)c(C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-11(2)15-7-6-14(10-12(15)3)20-13(4)16(19)18-9-8-17-5;/h6-7,10-11,13,17H,8-9H2,1-5H3,(H,18,19);1H
InChIKeyCEDXDCDRYZXMAQ-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.64
Rot. Bonds7

About N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride

N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride (PubChem CID 119504142) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
PubChem CID119504142
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCNCCNC(=O)C(C)Oc1ccc(C(C)C)c(C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-11(2)15-7-6-14(10-12(15)3)20-13(4)16(19)18-9-8-17-5;/h6-7,10-11,13,17H,8-9H2,1-5H3,(H,18,19);1H
InChIKeyCEDXDCDRYZXMAQ-UHFFFAOYSA-N
XLogP2.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381
N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55805598
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119559244
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 87041727
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one;hydrochloride
CID 119546769
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 47048125
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 55787034
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218546
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 46492636

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride (CID 119504142) is N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride is CNCCNC(=O)C(C)Oc1ccc(C(C)C)c(C)c1.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride?
The InChIKey is CEDXDCDRYZXMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-11(2)15-7-6-14(10-12(15)3)20-13(4)16(19)18-9-8-17-5;/h6-7,10-11,13,17H,8-9H2,1-5H3,(H,18,19);1H.
What are the key properties of N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride?
N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119504142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).