N-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide

C14H20N2O3 — CID 62907038

IUPACN-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide
SMILESNc1ccccc1OCCNC(=O)C1CCOCC1
InChIInChI=1S/C14H20N2O3/c15-12-3-1-2-4-13(12)19-10-7-16-14(17)11-5-8-18-9-6-11/h1-4,11H,5-10,15H2,(H,16,17)
InChIKeyISBNUHQGSRPXMK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.19
Rot. Bonds5

About N-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide

N-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide (PubChem CID 62907038) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide
PubChem CID62907038
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide
SMILESNc1ccccc1OCCNC(=O)C1CCOCC1
InChIInChI=1S/C14H20N2O3/c15-12-3-1-2-4-13(12)19-10-7-16-14(17)11-5-8-18-9-6-11/h1-4,11H,5-10,15H2,(H,16,17)
InChIKeyISBNUHQGSRPXMK-UHFFFAOYSA-N
XLogP1.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminophenoxy)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 64913579
N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide
CID 113101698
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
CID 113099100
(3R,6S)-6-amino-N-[2-(2-chlorophenoxy)ethyl]-1-(oxan-4-yl)azepane-3-carboxamide
CID 165427351
N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide
CID 113100479
N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide
CID 113100261
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
N-(3-amino-3-phenylpropyl)oxane-4-carboxamide
CID 80506614
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]cyclopropanecarboxamide
CID 115666757
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119742919

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide (CID 62907038) is N-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide is Nc1ccccc1OCCNC(=O)C1CCOCC1.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide?
The InChIKey is ISBNUHQGSRPXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12-3-1-2-4-13(12)19-10-7-16-14(17)11-5-8-18-9-6-11/h1-4,11H,5-10,15H2,(H,16,17).
What are the key properties of N-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide?
N-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 62907038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).