3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide

C20H29N3O5 — CID 110421276

IUPAC3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide
SMILESCOc1ccc(CCN2CC(CNC(=O)CCNC(C)=O)CC2=O)cc1OC
InChIInChI=1S/C20H29N3O5/c1-14(24)21-8-6-19(25)22-12-16-11-20(26)23(13-16)9-7-15-4-5-17(27-2)18(10-15)28-3/h4-5,10,16H,6-9,11-13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyRENFFQXJQMIIAY-UHFFFAOYSA-N
MW391.47 g/mol
LogP0.74
Rot. Bonds10

About 3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide

3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide (PubChem CID 110421276) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide
PubChem CID110421276
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC Name3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide
SMILESCOc1ccc(CCN2CC(CNC(=O)CCNC(C)=O)CC2=O)cc1OC
InChIInChI=1S/C20H29N3O5/c1-14(24)21-8-6-19(25)22-12-16-11-20(26)23(13-16)9-7-15-4-5-17(27-2)18(10-15)28-3/h4-5,10,16H,6-9,11-13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyRENFFQXJQMIIAY-UHFFFAOYSA-N
XLogP0.74
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]-3-(2-methoxyethyl)urea
CID 110418747
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 110420777
N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-methoxy-4-methylphenyl)propanamide
CID 124752050
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide
CID 110603216
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110420802
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
CID 110420810
4-(aminomethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one;hydrochloride
CID 52988220
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4963915
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51405841
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154053
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42990212
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 43008531

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide (CID 110421276) is 3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide is COc1ccc(CCN2CC(CNC(=O)CCNC(C)=O)CC2=O)cc1OC.
What is the InChIKey of 3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide?
The InChIKey is RENFFQXJQMIIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-14(24)21-8-6-19(25)22-12-16-11-20(26)23(13-16)9-7-15-4-5-17(27-2)18(10-15)28-3/h4-5,10,16H,6-9,11-13H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide?
3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide has a molecular weight of 391.47 g/mol, XLogP of 0.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 110421276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).