N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide

C28H33N3O5 — CID 652535

IUPACN-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1OC
InChIInChI=1S/C28H33N3O5/c1-30(2)21-13-11-19(12-14-21)26(27(32)29-20-8-5-6-9-20)31(28(33)24-10-7-17-36-24)22-15-16-23(34-3)25(18-22)35-4/h7,10-18,20,26H,5-6,8-9H2,1-4H3,(H,29,32)
InChIKeyTYEFIAPQXSAMCR-UHFFFAOYSA-N
MW491.59 g/mol
LogP4.81
Rot. Bonds9

About N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide

N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide (PubChem CID 652535) has the molecular formula C28H33N3O5 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
PubChem CID652535
Molecular FormulaC28H33N3O5
Molecular Weight491.59 g/mol
Exact Mass491.24
IUPAC NameN-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1OC
InChIInChI=1S/C28H33N3O5/c1-30(2)21-13-11-19(12-14-21)26(27(32)29-20-8-5-6-9-20)31(28(33)24-10-7-17-36-24)22-15-16-23(34-3)25(18-22)35-4/h7,10-18,20,26H,5-6,8-9H2,1-4H3,(H,29,32)
InChIKeyTYEFIAPQXSAMCR-UHFFFAOYSA-N
XLogP4.81
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide (CID 652535) is N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide is COc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1OC.
What is the InChIKey of N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?
The InChIKey is TYEFIAPQXSAMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5/c1-30(2)21-13-11-19(12-14-21)26(27(32)29-20-8-5-6-9-20)31(28(33)24-10-7-17-36-24)22-15-16-23(34-3)25(18-22)35-4/h7,10-18,20,26H,5-6,8-9H2,1-4H3,(H,29,32).
What are the key properties of N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 652535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).