3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide

C21H26N2O4 — CID 72904447

IUPAC3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide
SMILESCOCCOc1cccc(NC(=O)N2CC(Oc3c(C)cccc3C)C2)c1
InChIInChI=1S/C21H26N2O4/c1-15-6-4-7-16(2)20(15)27-19-13-23(14-19)21(24)22-17-8-5-9-18(12-17)26-11-10-25-3/h4-9,12,19H,10-11,13-14H2,1-3H3,(H,22,24)
InChIKeyOXJXGWQDVWYIKP-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.62
Rot. Bonds7

About 3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide

3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide (PubChem CID 72904447) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide
PubChem CID72904447
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide
SMILESCOCCOc1cccc(NC(=O)N2CC(Oc3c(C)cccc3C)C2)c1
InChIInChI=1S/C21H26N2O4/c1-15-6-4-7-16(2)20(15)27-19-13-23(14-19)21(24)22-17-8-5-9-18(12-17)26-11-10-25-3/h4-9,12,19H,10-11,13-14H2,1-3H3,(H,22,24)
InChIKeyOXJXGWQDVWYIKP-UHFFFAOYSA-N
XLogP3.62
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168046
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
CID 95592117
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide
CID 75393732
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide
CID 95297501
(3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide
CID 95572739
N-(3-methoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247293
2-(cyclopropylmethylamino)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723471
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707
(3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 97225832
3-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 122248088

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide?
The IUPAC name of 3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide (CID 72904447) is 3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide?
The canonical SMILES for 3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide is COCCOc1cccc(NC(=O)N2CC(Oc3c(C)cccc3C)C2)c1.
What is the InChIKey of 3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide?
The InChIKey is OXJXGWQDVWYIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-6-4-7-16(2)20(15)27-19-13-23(14-19)21(24)22-17-8-5-9-18(12-17)26-11-10-25-3/h4-9,12,19H,10-11,13-14H2,1-3H3,(H,22,24).
What are the key properties of 3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide?
3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 72904447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).