[4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate

C23H21NO4 — CID 7853389

IUPAC[4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C23H21NO4/c1-17-6-5-9-21(14-17)27-16-22(25)28-15-18-10-12-19(13-11-18)23(26)24-20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyNLEQUSSSKSQTCP-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.37
Rot. Bonds7

About [4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate

[4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate (PubChem CID 7853389) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate
PubChem CID7853389
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name[4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C23H21NO4/c1-17-6-5-9-21(14-17)27-16-22(25)28-15-18-10-12-19(13-11-18)23(26)24-20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyNLEQUSSSKSQTCP-UHFFFAOYSA-N
XLogP4.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate
CID 7853518
[4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate
CID 7185731
[4-(phenylcarbamoyl)phenyl]methyl 2-(4-ethoxyphenyl)acetate
CID 18226760
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
[4-(phenylcarbamoyl)phenyl]methyl (E)-but-2-enoate
CID 7981070
N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide
CID 8573875
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-bromophenoxy)acetate
CID 1193360
4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 126187920
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide
CID 55993506
ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate
CID 39268528

Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate (CID 7853389) is [4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate is Cc1cccc(OCC(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)c1.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate?
The InChIKey is NLEQUSSSKSQTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-17-6-5-9-21(14-17)27-16-22(25)28-15-18-10-12-19(13-11-18)23(26)24-20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,24,26).
What are the key properties of [4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate?
[4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate has a molecular weight of 375.42 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate is sourced from PubChem (CID 7853389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).