ethyl 2-[4-(phenylcarbamoyloxy)phenyl]-1H-pyrrole-3-carboxylate

C20H18N2O4 — CID 57261964

IUPACethyl 2-[4-(phenylcarbamoyloxy)phenyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc[nH]c1-c1ccc(OC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H18N2O4/c1-2-25-19(23)17-12-13-21-18(17)14-8-10-16(11-9-14)26-20(24)22-15-6-4-3-5-7-15/h3-13,21H,2H2,1H3,(H,22,24)
InChIKeyDYWSOLPSJBCRAJ-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.47
Rot. Bonds5

About ethyl 2-[4-(phenylcarbamoyloxy)phenyl]-1H-pyrrole-3-carboxylate

ethyl 2-[4-(phenylcarbamoyloxy)phenyl]-1H-pyrrole-3-carboxylate (PubChem CID 57261964) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is ethyl 2-[4-(phenylcarbamoyloxy)phenyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(phenylcarbamoyloxy)phenyl]-1H-pyrrole-3-carboxylate
PubChem CID57261964
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Nameethyl 2-[4-(phenylcarbamoyloxy)phenyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc[nH]c1-c1ccc(OC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H18N2O4/c1-2-25-19(23)17-12-13-21-18(17)14-8-10-16(11-9-14)26-20(24)22-15-6-4-3-5-7-15/h3-13,21H,2H2,1H3,(H,22,24)
InChIKeyDYWSOLPSJBCRAJ-UHFFFAOYSA-N
XLogP4.47
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate
CID 164735405
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
ethane;ethyl 2-methyl-1H-pyrrole-3-carboxylate
CID 145287449
(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
CID 67179519
ethyl 2-(2-anilino-2-oxoethyl)benzoate
CID 23621943
ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 165350273
ethyl 2-phenyl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxylate
CID 170695775
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
ethyl 3-(4-chlorophenyl)-5-(phenoxycarbonylamino)-1,2-oxazole-4-carboxylate
CID 108742877
2-ethoxy-3-[4-[2-[4-(phenylcarbamoyloxy)phenyl]ethoxy]phenyl]propanoic acid
CID 22988736
ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate
CID 109010741
hex-3-enyl 2-(phenylcarbamoyloxy)benzoate
CID 2870218

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(phenylcarbamoyloxy)phenyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-[4-(phenylcarbamoyloxy)phenyl]-1H-pyrrole-3-carboxylate (CID 57261964) is ethyl 2-[4-(phenylcarbamoyloxy)phenyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-[4-(phenylcarbamoyloxy)phenyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-[4-(phenylcarbamoyloxy)phenyl]-1H-pyrrole-3-carboxylate is CCOC(=O)c1cc[nH]c1-c1ccc(OC(=O)Nc2ccccc2)cc1.
What is the InChIKey of ethyl 2-[4-(phenylcarbamoyloxy)phenyl]-1H-pyrrole-3-carboxylate?
The InChIKey is DYWSOLPSJBCRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-25-19(23)17-12-13-21-18(17)14-8-10-16(11-9-14)26-20(24)22-15-6-4-3-5-7-15/h3-13,21H,2H2,1H3,(H,22,24).
What are the key properties of ethyl 2-[4-(phenylcarbamoyloxy)phenyl]-1H-pyrrole-3-carboxylate?
ethyl 2-[4-(phenylcarbamoyloxy)phenyl]-1H-pyrrole-3-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(phenylcarbamoyloxy)phenyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 57261964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).