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

C27H38N2O4 — CID 42871325

IUPACN-(2-methoxyethyl)-N-[[4-(2-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
SMILESCOCCN(CC1CN(Cc2ccc(C)o2)CC1c1ccccc1OC)C(=O)C1CCCC1
InChIInChI=1S/C27H38N2O4/c1-20-12-13-23(33-20)18-28-16-22(25(19-28)24-10-6-7-11-26(24)32-3)17-29(14-15-31-2)27(30)21-8-4-5-9-21/h6-7,10-13,21-22,25H,4-5,8-9,14-19H2,1-3H3
InChIKeyCSYSBEGXXCUNMF-UHFFFAOYSA-N
MW454.61 g/mol
LogP4.48
Rot. Bonds10

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

N-(2-methoxyethyl)-N-[[4-(2-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopentanecarboxamide (PubChem CID 42871325) has the molecular formula C27H38N2O4 and a molecular weight of 454.61 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[4-(2-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[4-(2-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
PubChem CID42871325
Molecular FormulaC27H38N2O4
Molecular Weight454.61 g/mol
Exact Mass454.28
IUPAC NameN-(2-methoxyethyl)-N-[[4-(2-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
SMILESCOCCN(CC1CN(Cc2ccc(C)o2)CC1c1ccccc1OC)C(=O)C1CCCC1
InChIInChI=1S/C27H38N2O4/c1-20-12-13-23(33-20)18-28-16-22(25(19-28)24-10-6-7-11-26(24)32-3)17-29(14-15-31-2)27(30)21-8-4-5-9-21/h6-7,10-13,21-22,25H,4-5,8-9,14-19H2,1-3H3
InChIKeyCSYSBEGXXCUNMF-UHFFFAOYSA-N
XLogP4.48
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.61
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[4-(2-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[[4-(2-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopentanecarboxamide (CID 42871325) is N-(2-methoxyethyl)-N-[[4-(2-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[4-(2-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[[4-(2-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopentanecarboxamide is COCCN(CC1CN(Cc2ccc(C)o2)CC1c1ccccc1OC)C(=O)C1CCCC1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[4-(2-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopentanecarboxamide?
The InChIKey is CSYSBEGXXCUNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O4/c1-20-12-13-23(33-20)18-28-16-22(25(19-28)24-10-6-7-11-26(24)32-3)17-29(14-15-31-2)27(30)21-8-4-5-9-21/h6-7,10-13,21-22,25H,4-5,8-9,14-19H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[[4-(2-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopentanecarboxamide?
N-(2-methoxyethyl)-N-[[4-(2-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopentanecarboxamide has a molecular weight of 454.61 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[4-(2-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 42871325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).