N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide

C26H29N3O6 — CID 654587

IUPACN-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccc(CN(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccco2)cc1
InChIInChI=1S/C26H29N3O6/c1-33-20-12-10-18(11-13-20)17-29(23(30)16-27-25(31)22-9-5-15-35-22)24(21-8-4-14-34-21)26(32)28-19-6-2-3-7-19/h4-5,8-15,19,24H,2-3,6-7,16-17H2,1H3,(H,27,31)(H,28,32)
InChIKeyYILMTSDMLVZQKF-UHFFFAOYSA-N
MW479.53 g/mol
LogP3.44
Rot. Bonds10

About N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 654587) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID654587
Molecular FormulaC26H29N3O6
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC NameN-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccc(CN(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccco2)cc1
InChIInChI=1S/C26H29N3O6/c1-33-20-12-10-18(11-13-20)17-29(23(30)16-27-25(31)22-9-5-15-35-22)24(21-8-4-14-34-21)26(32)28-19-6-2-3-7-19/h4-5,8-15,19,24H,2-3,6-7,16-17H2,1H3,(H,27,31)(H,28,32)
InChIKeyYILMTSDMLVZQKF-UHFFFAOYSA-N
XLogP3.44
TPSA114.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 654587) is N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide is COc1ccc(CN(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccco2)cc1.
What is the InChIKey of N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is YILMTSDMLVZQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6/c1-33-20-12-10-18(11-13-20)17-29(23(30)16-27-25(31)22-9-5-15-35-22)24(21-8-4-14-34-21)26(32)28-19-6-2-3-7-19/h4-5,8-15,19,24H,2-3,6-7,16-17H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 479.53 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 654587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).