N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride

C14H21ClN2O4 — CID 119694151

IUPACN-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
SMILESCOc1ccc(OCCNC(=O)C2COCCN2)cc1.Cl
InChIInChI=1S/C14H20N2O4.ClH/c1-18-11-2-4-12(5-3-11)20-9-7-16-14(17)13-10-19-8-6-15-13;/h2-5,13,15H,6-10H2,1H3,(H,16,17);1H
InChIKeyYZJMZYXUUBXRKN-UHFFFAOYSA-N
MW316.78 g/mol
LogP0.60
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride

N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119694151) has the molecular formula C14H21ClN2O4 and a molecular weight of 316.78 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119694151
Molecular FormulaC14H21ClN2O4
Molecular Weight316.78 g/mol
Exact Mass316.12
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
SMILESCOc1ccc(OCCNC(=O)C2COCCN2)cc1.Cl
InChIInChI=1S/C14H20N2O4.ClH/c1-18-11-2-4-12(5-3-11)20-9-7-16-14(17)13-10-19-8-6-15-13;/h2-5,13,15H,6-10H2,1H3,(H,16,17);1H
InChIKeyYZJMZYXUUBXRKN-UHFFFAOYSA-N
XLogP0.60
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.78
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenoxy)propyl]morpholine-3-carboxamide
CID 119757179
N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide
CID 119695885
N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243
(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
CID 96998631
(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919950
N-[(4-propoxyphenyl)methyl]morpholine-3-carboxamide
CID 119714341
N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide
CID 119877252
2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate
CID 118107617
2-(morpholine-3-carbonylamino)ethyl carbamate
CID 83209608
methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate
CID 119701381
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
(3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide
CID 124595367

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride (CID 119694151) is N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride is COc1ccc(OCCNC(=O)C2COCCN2)cc1.Cl.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is YZJMZYXUUBXRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4.ClH/c1-18-11-2-4-12(5-3-11)20-9-7-16-14(17)13-10-19-8-6-15-13;/h2-5,13,15H,6-10H2,1H3,(H,16,17);1H.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride?
N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 316.78 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119694151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).