N-cyclopentyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide

C25H33N3O5 — CID 655110

IUPACN-cyclopentyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)CN(C(=O)c2ccc(CN3CCOCC3)o2)C2CCCC2)cc1
InChIInChI=1S/C25H33N3O5/c1-31-21-8-6-19(7-9-21)16-26-24(29)18-28(20-4-2-3-5-20)25(30)23-11-10-22(33-23)17-27-12-14-32-15-13-27/h6-11,20H,2-5,12-18H2,1H3,(H,26,29)
InChIKeyGITRTQMWWVYTEA-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.82
Rot. Bonds9

About N-cyclopentyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide

N-cyclopentyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide (PubChem CID 655110) has the molecular formula C25H33N3O5 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
PubChem CID655110
Molecular FormulaC25H33N3O5
Molecular Weight455.56 g/mol
Exact Mass455.24
IUPAC NameN-cyclopentyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)CN(C(=O)c2ccc(CN3CCOCC3)o2)C2CCCC2)cc1
InChIInChI=1S/C25H33N3O5/c1-31-21-8-6-19(7-9-21)16-26-24(29)18-28(20-4-2-3-5-20)25(30)23-11-10-22(33-23)17-27-12-14-32-15-13-27/h6-11,20H,2-5,12-18H2,1H3,(H,26,29)
InChIKeyGITRTQMWWVYTEA-UHFFFAOYSA-N
XLogP2.82
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-cyclopentyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide (CID 655110) is N-cyclopentyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide is COc1ccc(CNC(=O)CN(C(=O)c2ccc(CN3CCOCC3)o2)C2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide?
The InChIKey is GITRTQMWWVYTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5/c1-31-21-8-6-19(7-9-21)16-26-24(29)18-28(20-4-2-3-5-20)25(30)23-11-10-22(33-23)17-27-12-14-32-15-13-27/h6-11,20H,2-5,12-18H2,1H3,(H,26,29).
What are the key properties of N-cyclopentyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide?
N-cyclopentyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 655110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).