2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate

C18H20NO5- — CID 6927801

IUPAC2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate
SMILESO=C([O-])CC1(CC(=O)Nc2ccc3c(c2)C(=O)OC3)CCCCC1
InChIInChI=1S/C18H21NO5/c20-15(9-18(10-16(21)22)6-2-1-3-7-18)19-13-5-4-12-11-24-17(23)14(12)8-13/h4-5,8H,1-3,6-7,9-11H2,(H,19,20)(H,21,22)/p-1
InChIKeyPDULPNSDLRZDTK-UHFFFAOYSA-M
MW330.36 g/mol
LogP1.78
Rot. Bonds5

About 2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate

2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate (PubChem CID 6927801) has the molecular formula C18H20NO5- and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate.

Molecular Properties

Compound Name2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate
PubChem CID6927801
Molecular FormulaC18H20NO5-
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Name2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate
SMILESO=C([O-])CC1(CC(=O)Nc2ccc3c(c2)C(=O)OC3)CCCCC1
InChIInChI=1S/C18H21NO5/c20-15(9-18(10-16(21)22)6-2-1-3-7-18)19-13-5-4-12-11-24-17(23)14(12)8-13/h4-5,8H,1-3,6-7,9-11H2,(H,19,20)(H,21,22)/p-1
InChIKeyPDULPNSDLRZDTK-UHFFFAOYSA-M
XLogP1.78
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate
CID 7440488
N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide
CID 566349
2-[1-[2-(4-tert-butylanilino)-2-oxoethyl]cyclohexyl]acetate
CID 8006656
2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate
CID 4077070
2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate
CID 7221567
N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide
CID 571616
1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea
CID 808394
2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 104677727
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
CID 121239655
N-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470331
3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide
CID 860482
1-(3,5-difluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)thiourea
CID 25098029

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate?
The IUPAC name of 2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate (CID 6927801) is 2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate.
What is the SMILES notation for 2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate?
The canonical SMILES for 2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate is O=C([O-])CC1(CC(=O)Nc2ccc3c(c2)C(=O)OC3)CCCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate?
The InChIKey is PDULPNSDLRZDTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H21NO5/c20-15(9-18(10-16(21)22)6-2-1-3-7-18)19-13-5-4-12-11-24-17(23)14(12)8-13/h4-5,8H,1-3,6-7,9-11H2,(H,19,20)(H,21,22)/p-1.
What are the key properties of 2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate?
2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate has a molecular weight of 330.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate is sourced from PubChem (CID 6927801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).