N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide

C25H34N2O3 — CID 42870024

IUPACN-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCOCCN(CC1CN(Cc2ccc(OC)cc2)CC1c1ccc(C)cc1)C(C)=O
InChIInChI=1S/C25H34N2O3/c1-19-5-9-22(10-6-19)25-18-26(15-21-7-11-24(30-4)12-8-21)16-23(25)17-27(20(2)28)13-14-29-3/h5-12,23,25H,13-18H2,1-4H3
InChIKeyTVEWMOQMIZVQGH-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.71
Rot. Bonds9

About N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide

N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 42870024) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID42870024
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCOCCN(CC1CN(Cc2ccc(OC)cc2)CC1c1ccc(C)cc1)C(C)=O
InChIInChI=1S/C25H34N2O3/c1-19-5-9-22(10-6-19)25-18-26(15-21-7-11-24(30-4)12-8-21)16-23(25)17-27(20(2)28)13-14-29-3/h5-12,23,25H,13-18H2,1-4H3
InChIKeyTVEWMOQMIZVQGH-UHFFFAOYSA-N
XLogP3.71
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 42870031
N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 42870028
N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 42869972
N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 42847844
N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 42869975
N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 42870385
N-[[1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylacetamide
CID 42870240
N-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 42864244
N-[[(3S,4R)-1-[(4,5-dimethylfuran-2-yl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 92992817
N-[[(3R,4R)-1-[(4,5-dimethylfuran-2-yl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 92992816
N-[[1-[[4-(dimethylamino)phenyl]methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 42870011
N-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 129426647

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide (CID 42870024) is N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide is COCCN(CC1CN(Cc2ccc(OC)cc2)CC1c1ccc(C)cc1)C(C)=O.
What is the InChIKey of N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is TVEWMOQMIZVQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-19-5-9-22(10-6-19)25-18-26(15-21-7-11-24(30-4)12-8-21)16-23(25)17-27(20(2)28)13-14-29-3/h5-12,23,25H,13-18H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide?
N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 410.56 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 42870024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).