[4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate

C17H17NO3 — CID 854746

IUPAC[4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO3/c1-12-3-5-14(6-4-12)11-18-17(20)15-7-9-16(10-8-15)21-13(2)19/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyVPUCCLQGHAZBIX-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.85
Rot. Bonds4

About [4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate

[4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate (PubChem CID 854746) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate
PubChem CID854746
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO3/c1-12-3-5-14(6-4-12)11-18-17(20)15-7-9-16(10-8-15)21-13(2)19/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyVPUCCLQGHAZBIX-UHFFFAOYSA-N
XLogP2.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.85
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

[4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate
CID 4178891
[4-(acetamidomethyl)phenyl] acetate
CID 15576450
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894701
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
4-[[(3,5-diacetyloxybenzoyl)amino]methyl]benzoic acid
CID 2976254
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-N-(4-ethoxyphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046981
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate?
The IUPAC name of [4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate (CID 854746) is [4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate?
The canonical SMILES for [4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of [4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate?
The InChIKey is VPUCCLQGHAZBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-3-5-14(6-4-12)11-18-17(20)15-7-9-16(10-8-15)21-13(2)19/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of [4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate?
[4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate has a molecular weight of 283.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 854746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).