ethyl 2-[[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate

C26H33N3O7 — CID 651131

IUPACethyl 2-[[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccccc1OCC
InChIInChI=1S/C26H33N3O7/c1-3-34-20-13-8-7-12-19(20)24(26(33)28-18-10-5-6-11-18)29(17-23(31)35-4-2)22(30)16-27-25(32)21-14-9-15-36-21/h7-9,12-15,18,24H,3-6,10-11,16-17H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyDNKPWGWSAXYBOD-UHFFFAOYSA-N
MW499.56 g/mol
LogP2.60
Rot. Bonds12

About ethyl 2-[[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate

ethyl 2-[[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate (PubChem CID 651131) has the molecular formula C26H33N3O7 and a molecular weight of 499.56 g/mol. Its IUPAC name is ethyl 2-[[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate
PubChem CID651131
Molecular FormulaC26H33N3O7
Molecular Weight499.56 g/mol
Exact Mass499.23
IUPAC Nameethyl 2-[[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccccc1OCC
InChIInChI=1S/C26H33N3O7/c1-3-34-20-13-8-7-12-19(20)24(26(33)28-18-10-5-6-11-18)29(17-23(31)35-4-2)22(30)16-27-25(32)21-14-9-15-36-21/h7-9,12-15,18,24H,3-6,10-11,16-17H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyDNKPWGWSAXYBOD-UHFFFAOYSA-N
XLogP2.60
TPSA127.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate (CID 651131) is ethyl 2-[[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate is CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccccc1OCC.
What is the InChIKey of ethyl 2-[[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is DNKPWGWSAXYBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O7/c1-3-34-20-13-8-7-12-19(20)24(26(33)28-18-10-5-6-11-18)29(17-23(31)35-4-2)22(30)16-27-25(32)21-14-9-15-36-21/h7-9,12-15,18,24H,3-6,10-11,16-17H2,1-2H3,(H,27,32)(H,28,33).
What are the key properties of ethyl 2-[[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate?
ethyl 2-[[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 499.56 g/mol, XLogP of 2.60, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(cyclopentylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 651131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).