N-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide

C30H34N2O6 — CID 3196802

IUPACN-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide
SMILESCOc1cc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)CCC3)cc(OC)c1OC
InChIInChI=1S/C30H34N2O6/c1-35-25-17-21(18-26(36-2)28(25)37-3)27(29(33)31-22-10-4-5-11-22)32(30(34)24-12-7-15-38-24)23-14-13-19-8-6-9-20(19)16-23/h7,12-18,22,27H,4-6,8-11H2,1-3H3,(H,31,33)
InChIKeySBPNKSSSUASLLZ-UHFFFAOYSA-N
MW518.61 g/mol
LogP5.24
Rot. Bonds9

About N-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide

N-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide (PubChem CID 3196802) has the molecular formula C30H34N2O6 and a molecular weight of 518.61 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide
PubChem CID3196802
Molecular FormulaC30H34N2O6
Molecular Weight518.61 g/mol
Exact Mass518.24
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide
SMILESCOc1cc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)CCC3)cc(OC)c1OC
InChIInChI=1S/C30H34N2O6/c1-35-25-17-21(18-26(36-2)28(25)37-3)27(29(33)31-22-10-4-5-11-22)32(30(34)24-12-7-15-38-24)23-14-13-19-8-6-9-20(19)16-23/h7,12-18,22,27H,4-6,8-11H2,1-3H3,(H,31,33)
InChIKeySBPNKSSSUASLLZ-UHFFFAOYSA-N
XLogP5.24
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.61
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 3191332
N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide
CID 3196797
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 3196870
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-phenylfuran-2-carboxamide
CID 3196884
N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 3191316
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 1441767
N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 25311435
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 3196871
N-[(1S)-2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 40624258
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196744
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 3196936
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide
CID 25311577

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide (CID 3196802) is N-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide is COc1cc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)CCC3)cc(OC)c1OC.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide?
The InChIKey is SBPNKSSSUASLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O6/c1-35-25-17-21(18-26(36-2)28(25)37-3)27(29(33)31-22-10-4-5-11-22)32(30(34)24-12-7-15-38-24)23-14-13-19-8-6-9-20(19)16-23/h7,12-18,22,27H,4-6,8-11H2,1-3H3,(H,31,33).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide?
N-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide has a molecular weight of 518.61 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide is sourced from PubChem (CID 3196802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).