ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate

C26H26N2O4 — CID 90833267

IUPACethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate
SMILESCCOC(=O)c1ccc(-c2ccccc2)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C26H26N2O4/c1-2-32-26(30)20-8-13-23(19-6-4-3-5-7-19)24(18-20)25(29)27-21-9-11-22(12-10-21)28-14-16-31-17-15-28/h3-13,18H,2,14-17H2,1H3,(H,27,29)
InChIKeyHDGPKUITFRKPKQ-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.62
Rot. Bonds6

About ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate

ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate (PubChem CID 90833267) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate.

Molecular Properties

Compound Nameethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate
PubChem CID90833267
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Nameethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate
SMILESCCOC(=O)c1ccc(-c2ccccc2)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C26H26N2O4/c1-2-32-26(30)20-8-13-23(19-6-4-3-5-7-19)24(18-20)25(29)27-21-9-11-22(12-10-21)28-14-16-31-17-15-28/h3-13,18H,2,14-17H2,1H3,(H,27,29)
InChIKeyHDGPKUITFRKPKQ-UHFFFAOYSA-N
XLogP4.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid
CID 90893627
2-[(5-ethoxycarbonyl-2-morpholin-4-ylphenyl)carbamoyl]benzoic acid
CID 2811007
2-[2-[[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamoyl]phenyl]benzoic acid
CID 24984100
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767
ethyl 3-[(1-morpholin-4-ylisoquinoline-4-carbonyl)amino]benzoate
CID 46360319
ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate
CID 109052957
ethyl 4-[[2-(2-morpholin-4-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108500117
N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55753857
ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328776
diethyl 4-(4-morpholin-4-ylanilino)quinoline-3,6-dicarboxylate
CID 1190175
N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
CID 17444618
ethyl 4-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamoylamino]benzoate
CID 42767164

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate?
The IUPAC name of ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate (CID 90833267) is ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate.
What is the SMILES notation for ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate?
The canonical SMILES for ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate is CCOC(=O)c1ccc(-c2ccccc2)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate?
The InChIKey is HDGPKUITFRKPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-2-32-26(30)20-8-13-23(19-6-4-3-5-7-19)24(18-20)25(29)27-21-9-11-22(12-10-21)28-14-16-31-17-15-28/h3-13,18H,2,14-17H2,1H3,(H,27,29).
What are the key properties of ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate?
ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate has a molecular weight of 430.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate is sourced from PubChem (CID 90833267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).