N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide

C17H26N2O4 — CID 119810610

IUPACN-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide
SMILESCCOCCOCc1cccc(NC(=O)C2CNCCO2)c1C
InChIInChI=1S/C17H26N2O4/c1-3-21-9-10-22-12-14-5-4-6-15(13(14)2)19-17(20)16-11-18-7-8-23-16/h4-6,16,18H,3,7-12H2,1-2H3,(H,19,20)
InChIKeyZPPRAQCKGFRSOY-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.48
Rot. Bonds8

About N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide

N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide (PubChem CID 119810610) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide
PubChem CID119810610
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide
SMILESCCOCCOCc1cccc(NC(=O)C2CNCCO2)c1C
InChIInChI=1S/C17H26N2O4/c1-3-21-9-10-22-12-14-5-4-6-15(13(14)2)19-17(20)16-11-18-7-8-23-16/h4-6,16,18H,3,7-12H2,1-2H3,(H,19,20)
InChIKeyZPPRAQCKGFRSOY-UHFFFAOYSA-N
XLogP1.48
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.48
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-(2-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679075
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide
CID 119870111
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671790
N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide
CID 56896506
(2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide
CID 95871007
N-(4-methoxy-2,3-dimethylphenyl)morpholine-2-carboxamide
CID 115177389
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide
CID 166406189
N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119754344
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide
CID 119338953
N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119801569
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride
CID 119338952
N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674752

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide?
The IUPAC name of N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide (CID 119810610) is N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide is CCOCCOCc1cccc(NC(=O)C2CNCCO2)c1C.
What is the InChIKey of N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide?
The InChIKey is ZPPRAQCKGFRSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-3-21-9-10-22-12-14-5-4-6-15(13(14)2)19-17(20)16-11-18-7-8-23-16/h4-6,16,18H,3,7-12H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide?
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119810610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).