2-morpholin-4-ylethyl 2-[(3-methoxyphenyl)carbamoyl]benzoate

C21H24N2O5 — CID 23728106

IUPAC2-morpholin-4-ylethyl 2-[(3-methoxyphenyl)carbamoyl]benzoate
SMILESCOc1cccc(NC(=O)c2ccccc2C(=O)OCCN2CCOCC2)c1
InChIInChI=1S/C21H24N2O5/c1-26-17-6-4-5-16(15-17)22-20(24)18-7-2-3-8-19(18)21(25)28-14-11-23-9-12-27-13-10-23/h2-8,15H,9-14H2,1H3,(H,22,24)
InChIKeyZHKXUGFAGPBNQM-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.44
Rot. Bonds7

About 2-morpholin-4-ylethyl 2-[(3-methoxyphenyl)carbamoyl]benzoate

2-morpholin-4-ylethyl 2-[(3-methoxyphenyl)carbamoyl]benzoate (PubChem CID 23728106) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-[(3-methoxyphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-[(3-methoxyphenyl)carbamoyl]benzoate
PubChem CID23728106
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-morpholin-4-ylethyl 2-[(3-methoxyphenyl)carbamoyl]benzoate
SMILESCOc1cccc(NC(=O)c2ccccc2C(=O)OCCN2CCOCC2)c1
InChIInChI=1S/C21H24N2O5/c1-26-17-6-4-5-16(15-17)22-20(24)18-7-2-3-8-19(18)21(25)28-14-11-23-9-12-27-13-10-23/h2-8,15H,9-14H2,1H3,(H,22,24)
InChIKeyZHKXUGFAGPBNQM-UHFFFAOYSA-N
XLogP2.44
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-[(3-methoxyphenyl)carbamoyl]benzoate?
The IUPAC name of 2-morpholin-4-ylethyl 2-[(3-methoxyphenyl)carbamoyl]benzoate (CID 23728106) is 2-morpholin-4-ylethyl 2-[(3-methoxyphenyl)carbamoyl]benzoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-[(3-methoxyphenyl)carbamoyl]benzoate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-[(3-methoxyphenyl)carbamoyl]benzoate is COc1cccc(NC(=O)c2ccccc2C(=O)OCCN2CCOCC2)c1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-[(3-methoxyphenyl)carbamoyl]benzoate?
The InChIKey is ZHKXUGFAGPBNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-26-17-6-4-5-16(15-17)22-20(24)18-7-2-3-8-19(18)21(25)28-14-11-23-9-12-27-13-10-23/h2-8,15H,9-14H2,1H3,(H,22,24).
What are the key properties of 2-morpholin-4-ylethyl 2-[(3-methoxyphenyl)carbamoyl]benzoate?
2-morpholin-4-ylethyl 2-[(3-methoxyphenyl)carbamoyl]benzoate has a molecular weight of 384.43 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-[(3-methoxyphenyl)carbamoyl]benzoate is sourced from PubChem (CID 23728106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).