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

C24H32N2O2 — CID 42847844

IUPACN-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC1CN(Cc2ccccc2)CC1c1ccccc1C)C(C)=O
InChIInChI=1S/C24H32N2O2/c1-19-9-7-8-12-23(19)24-18-25(15-21-10-5-4-6-11-21)16-22(24)17-26(20(2)27)13-14-28-3/h4-12,22,24H,13-18H2,1-3H3
InChIKeySEYGFBUYWKQQOU-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.71
Rot. Bonds8

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

N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide (PubChem CID 42847844) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
PubChem CID42847844
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC1CN(Cc2ccccc2)CC1c1ccccc1C)C(C)=O
InChIInChI=1S/C24H32N2O2/c1-19-9-7-8-12-23(19)24-18-25(15-21-10-5-4-6-11-21)16-22(24)17-26(20(2)27)13-14-28-3/h4-12,22,24H,13-18H2,1-3H3
InChIKeySEYGFBUYWKQQOU-UHFFFAOYSA-N
XLogP3.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-2-methyl-N-[[4-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 42870093
N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 42870024
N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide
CID 42863591
methyl (3S,4R)-1-benzyl-4-(2-methylphenyl)pyrrolidine-3-carboxylate
CID 59563644
N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 42870028
N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42847919
N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 42869972
2-methoxy-N-[[4-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 42870078
N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 42870031
N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 42871328
N-[[(3R,4R)-1-[(4-chlorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992335
N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 42870385

Frequently Asked Questions

What is the IUPAC name of N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide (CID 42847844) is N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide is COCCN(CC1CN(Cc2ccccc2)CC1c1ccccc1C)C(C)=O.
What is the InChIKey of N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is SEYGFBUYWKQQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-19-9-7-8-12-23(19)24-18-25(15-21-10-5-4-6-11-21)16-22(24)17-26(20(2)27)13-14-28-3/h4-12,22,24H,13-18H2,1-3H3.
What are the key properties of N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide?
N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 380.53 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 42847844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).