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

C29H42N2O3 — CID 42870361

IUPACN-cyclohexyl-N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
SMILESCOc1cccc(C2CN(Cc3cc(C)c(C)o3)CC2CN(C(=O)C(C)C)C2CCCCC2)c1
InChIInChI=1S/C29H42N2O3/c1-20(2)29(32)31(25-11-7-6-8-12-25)17-24-16-30(18-27-14-21(3)22(4)34-27)19-28(24)23-10-9-13-26(15-23)33-5/h9-10,13-15,20,24-25,28H,6-8,11-12,16-19H2,1-5H3
InChIKeyYPOVLELAKNESLU-UHFFFAOYSA-N
MW466.67 g/mol
LogP5.94
Rot. Bonds8

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

N-cyclohexyl-N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 42870361) has the molecular formula C29H42N2O3 and a molecular weight of 466.67 g/mol. Its IUPAC name is N-cyclohexyl-N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
PubChem CID42870361
Molecular FormulaC29H42N2O3
Molecular Weight466.67 g/mol
Exact Mass466.32
IUPAC NameN-cyclohexyl-N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
SMILESCOc1cccc(C2CN(Cc3cc(C)c(C)o3)CC2CN(C(=O)C(C)C)C2CCCCC2)c1
InChIInChI=1S/C29H42N2O3/c1-20(2)29(32)31(25-11-7-6-8-12-25)17-24-16-30(18-27-14-21(3)22(4)34-27)19-28(24)23-10-9-13-26(15-23)33-5/h9-10,13-15,20,24-25,28H,6-8,11-12,16-19H2,1-5H3
InChIKeyYPOVLELAKNESLU-UHFFFAOYSA-N
XLogP5.94
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 42870371
N-[[1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-methylpropanamide
CID 42870372
N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 42870360
N-[[(3S,4R)-1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 93001008
N-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide
CID 42863594
N-[[(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 93324073
N-cyclohexyl-2-methyl-N-[[(3S,4R)-1-[(2-nitrophenyl)methyl]-4-phenylpyrrolidin-3-yl]methyl]propanamide
CID 129423187
N-[[1-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 46071718
N-[[1-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-methylcyclohexanamine
CID 42867071
N-cyclohexyl-2-methyl-N-[[4-(4-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 42870251
N-[[(3R,4S)-4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 93000892
N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 42869979

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-cyclohexyl-N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide (CID 42870361) is N-cyclohexyl-N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-cyclohexyl-N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-cyclohexyl-N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide is COc1cccc(C2CN(Cc3cc(C)c(C)o3)CC2CN(C(=O)C(C)C)C2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is YPOVLELAKNESLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N2O3/c1-20(2)29(32)31(25-11-7-6-8-12-25)17-24-16-30(18-27-14-21(3)22(4)34-27)19-28(24)23-10-9-13-26(15-23)33-5/h9-10,13-15,20,24-25,28H,6-8,11-12,16-19H2,1-5H3.
What are the key properties of N-cyclohexyl-N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide?
N-cyclohexyl-N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 466.67 g/mol, XLogP of 5.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 42870361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).