methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate

C18H19NO5 — CID 17178280

IUPACmethyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
SMILESCOCCOc1ccc(NC(=O)c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C18H19NO5/c1-22-11-12-24-16-9-7-15(8-10-16)19-17(20)13-3-5-14(6-4-13)18(21)23-2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyVAFFXMCMLZULJL-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.75
Rot. Bonds7

About methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate

methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate (PubChem CID 17178280) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
PubChem CID17178280
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
SMILESCOCCOc1ccc(NC(=O)c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C18H19NO5/c1-22-11-12-24-16-9-7-15(8-10-16)19-17(20)13-3-5-14(6-4-13)18(21)23-2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyVAFFXMCMLZULJL-UHFFFAOYSA-N
XLogP2.75
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
methyl 4-[[4-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzoate
CID 17353758
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-[4-(diethylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 15943191
4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide
CID 56545946
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
4-(2-methoxyethoxy)-N-naphthalen-2-ylbenzamide
CID 17232007

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate (CID 17178280) is methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate is COCCOc1ccc(NC(=O)c2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate?
The InChIKey is VAFFXMCMLZULJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-22-11-12-24-16-9-7-15(8-10-16)19-17(20)13-3-5-14(6-4-13)18(21)23-2/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate?
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate has a molecular weight of 329.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 17178280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).