N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide

C28H40N2O4 — CID 42871328

IUPACN-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
SMILESCOCCN(CC1CN(Cc2cc(C)c(C)o2)CC1c1ccccc1OC)C(=O)C1CCCC1
InChIInChI=1S/C28H40N2O4/c1-20-15-24(34-21(20)2)18-29-16-23(26(19-29)25-11-7-8-12-27(25)33-4)17-30(13-14-32-3)28(31)22-9-5-6-10-22/h7-8,11-12,15,22-23,26H,5-6,9-10,13-14,16-19H2,1-4H3
InChIKeyCMCKZHPJOHINOJ-UHFFFAOYSA-N
MW468.64 g/mol
LogP4.79
Rot. Bonds10

About N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide

N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide (PubChem CID 42871328) has the molecular formula C28H40N2O4 and a molecular weight of 468.64 g/mol. Its IUPAC name is N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
PubChem CID42871328
Molecular FormulaC28H40N2O4
Molecular Weight468.64 g/mol
Exact Mass468.30
IUPAC NameN-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
SMILESCOCCN(CC1CN(Cc2cc(C)c(C)o2)CC1c1ccccc1OC)C(=O)C1CCCC1
InChIInChI=1S/C28H40N2O4/c1-20-15-24(34-21(20)2)18-29-16-23(26(19-29)25-11-7-8-12-27(25)33-4)17-30(13-14-32-3)28(31)22-9-5-6-10-22/h7-8,11-12,15,22-23,26H,5-6,9-10,13-14,16-19H2,1-4H3
InChIKeyCMCKZHPJOHINOJ-UHFFFAOYSA-N
XLogP4.79
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide?
The IUPAC name of N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide (CID 42871328) is N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide?
The canonical SMILES for N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide is COCCN(CC1CN(Cc2cc(C)c(C)o2)CC1c1ccccc1OC)C(=O)C1CCCC1.
What is the InChIKey of N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide?
The InChIKey is CMCKZHPJOHINOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O4/c1-20-15-24(34-21(20)2)18-29-16-23(26(19-29)25-11-7-8-12-27(25)33-4)17-30(13-14-32-3)28(31)22-9-5-6-10-22/h7-8,11-12,15,22-23,26H,5-6,9-10,13-14,16-19H2,1-4H3.
What are the key properties of N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide?
N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide has a molecular weight of 468.64 g/mol, XLogP of 4.79, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide is sourced from PubChem (CID 42871328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).