N-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide

C25H36N2O2 — CID 93000939

IUPACN-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
SMILESCc1ccc([C@@H]2CN(Cc3ccco3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)cc1
InChIInChI=1S/C25H36N2O2/c1-18(2)13-27(25(28)19(3)4)15-22-14-26(16-23-7-6-12-29-23)17-24(22)21-10-8-20(5)9-11-21/h6-12,18-19,22,24H,13-17H2,1-5H3/t22-,24+/m1/s1
InChIKeyTZNFWXYOBBKSAO-VWNXMTODSA-N
MW396.58 g/mol
LogP4.94
Rot. Bonds8

About N-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide

N-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 93000939) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID93000939
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC NameN-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
SMILESCc1ccc([C@@H]2CN(Cc3ccco3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)cc1
InChIInChI=1S/C25H36N2O2/c1-18(2)13-27(25(28)19(3)4)15-22-14-26(16-23-7-6-12-29-23)17-24(22)21-10-8-20(5)9-11-21/h6-12,18-19,22,24H,13-17H2,1-5H3/t22-,24+/m1/s1
InChIKeyTZNFWXYOBBKSAO-VWNXMTODSA-N
XLogP4.94
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of N-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide (CID 93000939) is N-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide is Cc1ccc([C@@H]2CN(Cc3ccco3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)cc1.
What is the InChIKey of N-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is TZNFWXYOBBKSAO-VWNXMTODSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-18(2)13-27(25(28)19(3)4)15-22-14-26(16-23-7-6-12-29-23)17-24(22)21-10-8-20(5)9-11-21/h6-12,18-19,22,24H,13-17H2,1-5H3/t22-,24+/m1/s1.
What are the key properties of N-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide?
N-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 396.58 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 93000939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).