N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride

C17H27ClN2O3 — CID 119780505

IUPACN-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(C)(C)c1ccccc1OCCNC(=O)C1CNCCO1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-17(2,3)13-6-4-5-7-14(13)21-11-9-19-16(20)15-12-18-8-10-22-15;/h4-7,15,18H,8-12H2,1-3H3,(H,19,20);1H
InChIKeyXULFNNYPMRDFDX-UHFFFAOYSA-N
MW342.87 g/mol
LogP1.89
Rot. Bonds5

About N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride

N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119780505) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119780505
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC NameN-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(C)(C)c1ccccc1OCCNC(=O)C1CNCCO1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-17(2,3)13-6-4-5-7-14(13)21-11-9-19-16(20)15-12-18-8-10-22-15;/h4-7,15,18H,8-12H2,1-3H3,(H,19,20);1H
InChIKeyXULFNNYPMRDFDX-UHFFFAOYSA-N
XLogP1.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide
CID 119780506
N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119784414
N-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119821343
N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 103808140
N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide
CID 119757535
N-(2-benzamidoethyl)morpholine-2-carboxamide;hydrochloride
CID 119702761
2-(2-tert-butylphenoxy)ethylcarbamic acid
CID 118869764
N-[2-[(2-methylpropan-2-yl)oxy]phenyl]morpholine-2-carboxamide;hydrochloride
CID 119792290
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119707554
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119893791
N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride
CID 154911195
2-(morpholine-2-carbonylamino)ethyl carbamate
CID 83210560

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride (CID 119780505) is N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride is CC(C)(C)c1ccccc1OCCNC(=O)C1CNCCO1.Cl.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is XULFNNYPMRDFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-17(2,3)13-6-4-5-7-14(13)21-11-9-19-16(20)15-12-18-8-10-22-15;/h4-7,15,18H,8-12H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride?
N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119780505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).