N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride

C17H29ClN2O2 — CID 119508717

IUPACN-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCCNCCNC(=O)C(C)Oc1cc(C(C)C)ccc1C.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-6-18-9-10-19-17(20)14(5)21-16-11-15(12(2)3)8-7-13(16)4;/h7-8,11-12,14,18H,6,9-10H2,1-5H3,(H,19,20);1H
InChIKeyDFBDZUYEDKVXIU-UHFFFAOYSA-N
MW328.88 g/mol
LogP3.03
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride

N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride (PubChem CID 119508717) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
PubChem CID119508717
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC NameN-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCCNCCNC(=O)C(C)Oc1cc(C(C)C)ccc1C.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-6-18-9-10-19-17(20)14(5)21-16-11-15(12(2)3)8-7-13(16)4;/h7-8,11-12,14,18H,6,9-10H2,1-5H3,(H,19,20);1H
InChIKeyDFBDZUYEDKVXIU-UHFFFAOYSA-N
XLogP3.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 53.03
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-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 47115044
2-(2-methyl-5-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513940
2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119537381
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
N-ethyl-2-(5-fluoro-2-methylphenoxy)propanamide
CID 102990501
methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate
CID 55770623
N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
CID 119504615
2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389695
4-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]oxane-4-carboxylic acid
CID 120542344
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119505468
N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119507555
2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506597

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride (CID 119508717) is N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride is CCNCCNC(=O)C(C)Oc1cc(C(C)C)ccc1C.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride?
The InChIKey is DFBDZUYEDKVXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-6-18-9-10-19-17(20)14(5)21-16-11-15(12(2)3)8-7-13(16)4;/h7-8,11-12,14,18H,6,9-10H2,1-5H3,(H,19,20);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride?
N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119508717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).