N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride

C16H25ClN2O3 — CID 119784414

IUPACN-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(C)c1ccccc1OCCNC(=O)C1CNCCO1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-12(2)13-5-3-4-6-14(13)20-10-8-18-16(19)15-11-17-7-9-21-15;/h3-6,12,15,17H,7-11H2,1-2H3,(H,18,19);1H
InChIKeyZUVQKTVZCBKUQZ-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.72
Rot. Bonds6

About N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride

N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119784414) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119784414
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC NameN-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(C)c1ccccc1OCCNC(=O)C1CNCCO1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-12(2)13-5-3-4-6-14(13)20-10-8-18-16(19)15-11-17-7-9-21-15;/h3-6,12,15,17H,7-11H2,1-2H3,(H,18,19);1H
InChIKeyZUVQKTVZCBKUQZ-UHFFFAOYSA-N
XLogP1.72
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.72
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;hydrochloride
CID 119780505
N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide
CID 119780506
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119707554
N-[1-(2-ethoxyphenyl)propyl]morpholine-2-carboxamide
CID 119721402
N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
CID 119812339
N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 103808140
N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide
CID 119757535
N-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119821343
N-(2-benzamidoethyl)morpholine-2-carboxamide;hydrochloride
CID 119702761
N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
CID 119816799
3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride
CID 119784406
5-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 167768600

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride (CID 119784414) is N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride is CC(C)c1ccccc1OCCNC(=O)C1CNCCO1.Cl.
What is the InChIKey of N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is ZUVQKTVZCBKUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-12(2)13-5-3-4-6-14(13)20-10-8-18-16(19)15-11-17-7-9-21-15;/h3-6,12,15,17H,7-11H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride?
N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119784414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).