2-methoxy-N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]acetamide

C23H33N3O4 — CID 42869982

IUPAC2-methoxy-N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCOCCN(CC1CN(Cc2ccc[nH]2)CC1c1cccc(OC)c1)C(=O)COC
InChIInChI=1S/C23H33N3O4/c1-28-11-10-26(23(27)17-29-2)14-19-13-25(15-20-7-5-9-24-20)16-22(19)18-6-4-8-21(12-18)30-3/h4-9,12,19,22,24H,10-11,13-17H2,1-3H3
InChIKeyOLMXIJCTBSANDT-UHFFFAOYSA-N
MW415.53 g/mol
LogP2.36
Rot. Bonds11

About 2-methoxy-N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]acetamide

2-methoxy-N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 42869982) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID42869982
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name2-methoxy-N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCOCCN(CC1CN(Cc2ccc[nH]2)CC1c1cccc(OC)c1)C(=O)COC
InChIInChI=1S/C23H33N3O4/c1-28-11-10-26(23(27)17-29-2)14-19-13-25(15-20-7-5-9-24-20)16-22(19)18-6-4-8-21(12-18)30-3/h4-9,12,19,22,24H,10-11,13-17H2,1-3H3
InChIKeyOLMXIJCTBSANDT-UHFFFAOYSA-N
XLogP2.36
TPSA67.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S,4S)-4-(3-fluorophenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 93001005
N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 42870360
N-[[4-(3-fluorophenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
CID 42870268
N-[[(3S,4S)-4-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 93324085
N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 42869975
N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 42869979
N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 42869972
N-[[1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 42869969
N-[[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 129446757
4-fluoro-N-propan-2-yl-N-[[1-(1H-pyrrol-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 46063067
N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42847919
N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 42847917

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]acetamide (CID 42869982) is 2-methoxy-N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]acetamide is COCCN(CC1CN(Cc2ccc[nH]2)CC1c1cccc(OC)c1)C(=O)COC.
What is the InChIKey of 2-methoxy-N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is OLMXIJCTBSANDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-28-11-10-26(23(27)17-29-2)14-19-13-25(15-20-7-5-9-24-20)16-22(19)18-6-4-8-21(12-18)30-3/h4-9,12,19,22,24H,10-11,13-17H2,1-3H3.
What are the key properties of 2-methoxy-N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]acetamide?
2-methoxy-N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 415.53 g/mol, XLogP of 2.36, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 42869982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).