1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide

C15H20N2O2 — CID 155958808

IUPAC1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide
SMILESCC(C)c1ccc(CC(=O)N2CCC2C(N)=O)cc1
InChIInChI=1S/C15H20N2O2/c1-10(2)12-5-3-11(4-6-12)9-14(18)17-8-7-13(17)15(16)19/h3-6,10,13H,7-9H2,1-2H3,(H2,16,19)
InChIKeyQLALCYKYBUFZRE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.44
Rot. Bonds4

About 1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide

1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide (PubChem CID 155958808) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide
PubChem CID155958808
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide
SMILESCC(C)c1ccc(CC(=O)N2CCC2C(N)=O)cc1
InChIInChI=1S/C15H20N2O2/c1-10(2)12-5-3-11(4-6-12)9-14(18)17-8-7-13(17)15(16)19/h3-6,10,13H,7-9H2,1-2H3,(H2,16,19)
InChIKeyQLALCYKYBUFZRE-UHFFFAOYSA-N
XLogP1.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-carbamothioylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 63591025
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidine-2-carboxamide
CID 146123465
1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide
CID 175656351
1-[2-(4-aminophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid
CID 115867440
2-(4-propan-2-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
CID 58145380
1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 110674012
1-[(3aR,6R,7aS)-3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 119068523
(2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 138023677
N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide
CID 77036177
1-[2-(4-aminophenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371706
ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110766816
2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 94288730

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide?
The IUPAC name of 1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide (CID 155958808) is 1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide?
The canonical SMILES for 1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide is CC(C)c1ccc(CC(=O)N2CCC2C(N)=O)cc1.
What is the InChIKey of 1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide?
The InChIKey is QLALCYKYBUFZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)12-5-3-11(4-6-12)9-14(18)17-8-7-13(17)15(16)19/h3-6,10,13H,7-9H2,1-2H3,(H2,16,19).
What are the key properties of 1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide?
1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide is sourced from PubChem (CID 155958808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).