3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide

C22H34N2O5 — CID 42448824

IUPAC3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide
SMILESCOCCN(C(=O)CC[C@@]1(Cc2ccc(OC)c(OC)c2)CCC(=O)N1)C(C)C
InChIInChI=1S/C22H34N2O5/c1-16(2)24(12-13-27-3)21(26)9-11-22(10-8-20(25)23-22)15-17-6-7-18(28-4)19(14-17)29-5/h6-7,14,16H,8-13,15H2,1-5H3,(H,23,25)/t22-/m1/s1
InChIKeyDTKNGKYDCYTCLU-JOCHJYFZSA-N
MW406.52 g/mol
LogP2.56
Rot. Bonds11

About 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide

3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide (PubChem CID 42448824) has the molecular formula C22H34N2O5 and a molecular weight of 406.52 g/mol. Its IUPAC name is 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide
PubChem CID42448824
Molecular FormulaC22H34N2O5
Molecular Weight406.52 g/mol
Exact Mass406.25
IUPAC Name3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide
SMILESCOCCN(C(=O)CC[C@@]1(Cc2ccc(OC)c(OC)c2)CCC(=O)N1)C(C)C
InChIInChI=1S/C22H34N2O5/c1-16(2)24(12-13-27-3)21(26)9-11-22(10-8-20(25)23-22)15-17-6-7-18(28-4)19(14-17)29-5/h6-7,14,16H,8-13,15H2,1-5H3,(H,23,25)/t22-/m1/s1
InChIKeyDTKNGKYDCYTCLU-JOCHJYFZSA-N
XLogP2.56
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 125161883
3-[2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylpropanamide
CID 45227113
3-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 42405365
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
CID 45182238
N-[1-(1-adamantyl)-2-methylpropan-2-yl]-3-[2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45175104
5-[(3,4-dimethoxyphenyl)methyl]-5-[3-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 45169979
4-[3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one
CID 26352494
N-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 45176424
3-[(2S)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-1-naphthalen-1-ylethyl]propanamide
CID 42325254
5-[3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]-5-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 45180961
3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-thiophen-2-ylethyl)propanamide
CID 45183979
3-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 42212056

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide (CID 42448824) is 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide is COCCN(C(=O)CC[C@@]1(Cc2ccc(OC)c(OC)c2)CCC(=O)N1)C(C)C.
What is the InChIKey of 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide?
The InChIKey is DTKNGKYDCYTCLU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H34N2O5/c1-16(2)24(12-13-27-3)21(26)9-11-22(10-8-20(25)23-22)15-17-6-7-18(28-4)19(14-17)29-5/h6-7,14,16H,8-13,15H2,1-5H3,(H,23,25)/t22-/m1/s1.
What are the key properties of 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide?
3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide has a molecular weight of 406.52 g/mol, XLogP of 2.56, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 42448824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).