[2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate

C18H19NO3 — CID 720313

IUPAC[2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C18H19NO3/c1-12(2)14-8-4-6-10-16(14)19-18(21)15-9-5-7-11-17(15)22-13(3)20/h4-12H,1-3H3,(H,19,21)
InChIKeyQGJSSEDZTCZDHI-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.99
Rot. Bonds4

About [2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate

[2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate (PubChem CID 720313) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate
PubChem CID720313
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C18H19NO3/c1-12(2)14-8-4-6-10-16(14)19-18(21)15-9-5-7-11-17(15)22-13(3)20/h4-12H,1-3H3,(H,19,21)
InChIKeyQGJSSEDZTCZDHI-UHFFFAOYSA-N
XLogP3.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900
[2-[(2,3-dichlorophenyl)carbamoyl]phenyl] acetate
CID 3368365
[2-[(4-iodophenyl)carbamoyl]phenyl] acetate
CID 3361929
[2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate
CID 3361206
2-methoxy-3-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 17101838
2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide
CID 79714001
N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide
CID 114304946
[2-(1H-indol-7-ylcarbamoyl)phenyl] acetate
CID 69027217
N-(2-propan-2-ylphenyl)benzamide
CID 723391
[2-(acetylcarbamoyl)phenyl] acetate
CID 12538006
2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046921
2-isocyanato-N-(2-propan-2-ylphenyl)benzamide
CID 169354557

Frequently Asked Questions

What is the IUPAC name of [2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate?
The IUPAC name of [2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate (CID 720313) is [2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate?
The canonical SMILES for [2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of [2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate?
The InChIKey is QGJSSEDZTCZDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12(2)14-8-4-6-10-16(14)19-18(21)15-9-5-7-11-17(15)22-13(3)20/h4-12H,1-3H3,(H,19,21).
What are the key properties of [2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate?
[2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate has a molecular weight of 297.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 720313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).