[2-(cyclopentylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate

C21H24N2O7 — CID 2999423

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)NC2CCCC2)cc(NC(=O)c2ccco2)c1OC
InChIInChI=1S/C21H24N2O7/c1-27-17-11-13(21(26)30-12-18(24)22-14-6-3-4-7-14)10-15(19(17)28-2)23-20(25)16-8-5-9-29-16/h5,8-11,14H,3-4,6-7,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBQRFACARUXERMB-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.76
Rot. Bonds8

About [2-(cyclopentylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate

[2-(cyclopentylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate (PubChem CID 2999423) has the molecular formula C21H24N2O7 and a molecular weight of 416.43 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
PubChem CID2999423
Molecular FormulaC21H24N2O7
Molecular Weight416.43 g/mol
Exact Mass416.16
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)NC2CCCC2)cc(NC(=O)c2ccco2)c1OC
InChIInChI=1S/C21H24N2O7/c1-27-17-11-13(21(26)30-12-18(24)22-14-6-3-4-7-14)10-15(19(17)28-2)23-20(25)16-8-5-9-29-16/h5,8-11,14H,3-4,6-7,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBQRFACARUXERMB-UHFFFAOYSA-N
XLogP2.76
TPSA116.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(Furan-2-amido)-4,5-dimethoxybenzoic acid
CID 717927
N-[4-(2-furoylamino)-3-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1370835
N-[2,5-diethoxy-4-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]phenyl]-2-furancarboxamide
CID 651638
N-(1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 652350
Furan-2-carboxylic acid {4-[2-(3,4-dimethoxy-phenyl)-acetylamino]-2,5-diethoxy-phenyl}-amide
CID 653462
Methyl 4,5-dimethoxy-2-[(5-methyl-2-furoyl)amino]benzoate
CID 1247579
[2-(Methylamino)-2-oxoethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 2105080
[2-(Methylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2562361
[2-Oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2999167
Furan-2-carboxylic acid (4-acetylamino-phenyl)-[cyclopentylcarbamoyl-(2,3-dimethoxy-phenyl)-methyl]-amide
CID 3196751
Furan-2-carboxylic acid (4-acetyl-phenyl)-[cyclopentylcarbamoyl-(2,3-dimethoxy-phenyl)-methyl]-amide
CID 3196753
Furan-2-carboxylic acid (3-acetyl-phenyl)-[cyclopentylcarbamoyl-(2,3-dimethoxy-phenyl)-methyl]-amide
CID 3196754

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate (CID 2999423) is [2-(cyclopentylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate is COc1cc(C(=O)OCC(=O)NC2CCCC2)cc(NC(=O)c2ccco2)c1OC.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The InChIKey is BQRFACARUXERMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O7/c1-27-17-11-13(21(26)30-12-18(24)22-14-6-3-4-7-14)10-15(19(17)28-2)23-20(25)16-8-5-9-29-16/h5,8-11,14H,3-4,6-7,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate has a molecular weight of 416.43 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 2999423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).