N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide

C24H34N2O3S — CID 42869979

IUPACN-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
SMILESCOCCN(CC1CN(Cc2cccs2)CC1c1cccc(OC)c1)C(=O)C(C)C
InChIInChI=1S/C24H34N2O3S/c1-18(2)24(27)26(10-11-28-3)15-20-14-25(16-22-9-6-12-30-22)17-23(20)19-7-5-8-21(13-19)29-4/h5-9,12-13,18,20,23H,10-11,14-17H2,1-4H3
InChIKeyNAYASQIMVUVBES-UHFFFAOYSA-N
MW430.61 g/mol
LogP4.10
Rot. Bonds10

About N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide

N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 42869979) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
PubChem CID42869979
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC NameN-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
SMILESCOCCN(CC1CN(Cc2cccs2)CC1c1cccc(OC)c1)C(=O)C(C)C
InChIInChI=1S/C24H34N2O3S/c1-18(2)24(27)26(10-11-28-3)15-20-14-25(16-22-9-6-12-30-22)17-23(20)19-7-5-8-21(13-19)29-4/h5-9,12-13,18,20,23H,10-11,14-17H2,1-4H3
InChIKeyNAYASQIMVUVBES-UHFFFAOYSA-N
XLogP4.10
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide (CID 42869979) is N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide is COCCN(CC1CN(Cc2cccs2)CC1c1cccc(OC)c1)C(=O)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is NAYASQIMVUVBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-18(2)24(27)26(10-11-28-3)15-20-14-25(16-22-9-6-12-30-22)17-23(20)19-7-5-8-21(13-19)29-4/h5-9,12-13,18,20,23H,10-11,14-17H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide?
N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 430.61 g/mol, XLogP of 4.10, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 42869979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).