N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide

C14H18N2O3 — CID 142513714

IUPACN-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC2CN(C=O)C2)cc1
InChIInChI=1S/C14H18N2O3/c1-11-2-4-13(5-3-11)19-9-14(18)15-6-12-7-16(8-12)10-17/h2-5,10,12H,6-9H2,1H3,(H,15,18)
InChIKeyWHCPXENGCSLTBQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.58
Rot. Bonds6

About N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide

N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide (PubChem CID 142513714) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide
PubChem CID142513714
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC2CN(C=O)C2)cc1
InChIInChI=1S/C14H18N2O3/c1-11-2-4-13(5-3-11)19-9-14(18)15-6-12-7-16(8-12)10-17/h2-5,10,12H,6-9H2,1H3,(H,15,18)
InChIKeyWHCPXENGCSLTBQ-UHFFFAOYSA-N
XLogP0.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide 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

N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24667225
N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110736170
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
2-(4-methoxyphenoxy)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919033
2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
CID 110291709
2-(4-methylphenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640198
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 121109431
2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 16920637
2-(4-chlorophenoxy)-N-[[1-(4-methoxyphenyl)azetidin-3-yl]methyl]acetamide
CID 137380565
2-(4-benzoylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 134038104
2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071

Frequently Asked Questions

What is the IUPAC name of N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide (CID 142513714) is N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCC2CN(C=O)C2)cc1.
What is the InChIKey of N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is WHCPXENGCSLTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11-2-4-13(5-3-11)19-9-14(18)15-6-12-7-16(8-12)10-17/h2-5,10,12H,6-9H2,1H3,(H,15,18).
What are the key properties of N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide?
N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 262.31 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 142513714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).