3-(4-amino-3-methoxyphenoxy)-N-(2-hydroxyethyl)-N-methylazetidine-1-carboxamide

C14H21N3O4 — CID 89070013

IUPAC3-(4-amino-3-methoxyphenoxy)-N-(2-hydroxyethyl)-N-methylazetidine-1-carboxamide
SMILESCOc1cc(OC2CN(C(=O)N(C)CCO)C2)ccc1N
InChIInChI=1S/C14H21N3O4/c1-16(5-6-18)14(19)17-8-11(9-17)21-10-3-4-12(15)13(7-10)20-2/h3-4,7,11,18H,5-6,8-9,15H2,1-2H3
InChIKeyBYNPZILWUROSGF-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.38
Rot. Bonds5

About 3-(4-amino-3-methoxyphenoxy)-N-(2-hydroxyethyl)-N-methylazetidine-1-carboxamide

3-(4-amino-3-methoxyphenoxy)-N-(2-hydroxyethyl)-N-methylazetidine-1-carboxamide (PubChem CID 89070013) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(4-amino-3-methoxyphenoxy)-N-(2-hydroxyethyl)-N-methylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-amino-3-methoxyphenoxy)-N-(2-hydroxyethyl)-N-methylazetidine-1-carboxamide
PubChem CID89070013
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name3-(4-amino-3-methoxyphenoxy)-N-(2-hydroxyethyl)-N-methylazetidine-1-carboxamide
SMILESCOc1cc(OC2CN(C(=O)N(C)CCO)C2)ccc1N
InChIInChI=1S/C14H21N3O4/c1-16(5-6-18)14(19)17-8-11(9-17)21-10-3-4-12(15)13(7-10)20-2/h3-4,7,11,18H,5-6,8-9,15H2,1-2H3
InChIKeyBYNPZILWUROSGF-UHFFFAOYSA-N
XLogP0.38
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methoxyphenoxy)-N-(2-hydroxyethyl)-N-methylazetidine-1-carboxamide?
The IUPAC name of 3-(4-amino-3-methoxyphenoxy)-N-(2-hydroxyethyl)-N-methylazetidine-1-carboxamide (CID 89070013) is 3-(4-amino-3-methoxyphenoxy)-N-(2-hydroxyethyl)-N-methylazetidine-1-carboxamide.
What is the SMILES notation for 3-(4-amino-3-methoxyphenoxy)-N-(2-hydroxyethyl)-N-methylazetidine-1-carboxamide?
The canonical SMILES for 3-(4-amino-3-methoxyphenoxy)-N-(2-hydroxyethyl)-N-methylazetidine-1-carboxamide is COc1cc(OC2CN(C(=O)N(C)CCO)C2)ccc1N.
What is the InChIKey of 3-(4-amino-3-methoxyphenoxy)-N-(2-hydroxyethyl)-N-methylazetidine-1-carboxamide?
The InChIKey is BYNPZILWUROSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-16(5-6-18)14(19)17-8-11(9-17)21-10-3-4-12(15)13(7-10)20-2/h3-4,7,11,18H,5-6,8-9,15H2,1-2H3.
What are the key properties of 3-(4-amino-3-methoxyphenoxy)-N-(2-hydroxyethyl)-N-methylazetidine-1-carboxamide?
3-(4-amino-3-methoxyphenoxy)-N-(2-hydroxyethyl)-N-methylazetidine-1-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-methoxyphenoxy)-N-(2-hydroxyethyl)-N-methylazetidine-1-carboxamide is sourced from PubChem (CID 89070013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).