1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide

C18H18N2O3 — CID 90511634

IUPAC1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C18H18N2O3/c1-13(21)20-11-14(12-20)18(22)19-15-7-9-17(10-8-15)23-16-5-3-2-4-6-16/h2-10,14H,11-12H2,1H3,(H,19,22)
InChIKeySGAIXNZXBVBPIS-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.90
Rot. Bonds4

About 1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide

1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide (PubChem CID 90511634) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide
PubChem CID90511634
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C18H18N2O3/c1-13(21)20-11-14(12-20)18(22)19-15-7-9-17(10-8-15)23-16-5-3-2-4-6-16/h2-10,14H,11-12H2,1H3,(H,19,22)
InChIKeySGAIXNZXBVBPIS-UHFFFAOYSA-N
XLogP2.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide
CID 90513134
1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide
CID 42865244
1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
CID 6468150
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785
1-acetyl-N-(4-nitrophenyl)azetidine-3-carboxamide
CID 90511424
1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113185562
(1R)-N-(4-phenoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 8780376
N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112523910
1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 84916478
(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40666345
(3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 124523029
2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109141175

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide (CID 90511634) is 1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide is CC(=O)N1CC(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of 1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide?
The InChIKey is SGAIXNZXBVBPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13(21)20-11-14(12-20)18(22)19-15-7-9-17(10-8-15)23-16-5-3-2-4-6-16/h2-10,14H,11-12H2,1H3,(H,19,22).
What are the key properties of 1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide?
1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).