[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate

C22H19NO4 — CID 2995401

IUPAC[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C22H19NO4/c1-16(24)27-21-9-5-8-18(14-21)22(25)23-19-10-12-20(13-11-19)26-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyMDMDBYFJUBBTPO-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.44
Rot. Bonds6

About [3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate

[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate (PubChem CID 2995401) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is [3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
PubChem CID2995401
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C22H19NO4/c1-16(24)27-21-9-5-8-18(14-21)22(25)23-19-10-12-20(13-11-19)26-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyMDMDBYFJUBBTPO-UHFFFAOYSA-N
XLogP4.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate 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-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
3-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 3409101
[3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927655
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927681
N-[4-[(2R)-butan-2-yl]phenyl]-3-phenylmethoxybenzamide
CID 8778703
[3-[[4-(pyridine-2-carbonylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927700
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
3-phenylmethoxy-N-(4-sulfamoylphenyl)benzamide
CID 1163178
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218

Frequently Asked Questions

What is the IUPAC name of [3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate?
The IUPAC name of [3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate (CID 2995401) is [3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of [3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate?
The InChIKey is MDMDBYFJUBBTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-16(24)27-21-9-5-8-18(14-21)22(25)23-19-10-12-20(13-11-19)26-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of [3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate?
[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate has a molecular weight of 361.40 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 2995401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).