3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methoxyethyl)urea

C19H29N3O6 — CID 7244358

IUPAC3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C19H29N3O6/c1-25-9-7-21(8-10-26-2)19(24)20-14-11-18(23)22(13-14)15-5-6-16(27-3)17(12-15)28-4/h5-6,12,14H,7-11,13H2,1-4H3,(H,20,24)/t14-/m1/s1
InChIKeyKSZFVOGYWLHNMM-CQSZACIVSA-N
MW395.46 g/mol
LogP1.11
Rot. Bonds10

About 3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methoxyethyl)urea

3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methoxyethyl)urea (PubChem CID 7244358) has the molecular formula C19H29N3O6 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methoxyethyl)urea
PubChem CID7244358
Molecular FormulaC19H29N3O6
Molecular Weight395.46 g/mol
Exact Mass395.21
IUPAC Name3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C19H29N3O6/c1-25-9-7-21(8-10-26-2)19(24)20-14-11-18(23)22(13-14)15-5-6-16(27-3)17(12-15)28-4/h5-6,12,14H,7-11,13H2,1-4H3,(H,20,24)/t14-/m1/s1
InChIKeyKSZFVOGYWLHNMM-CQSZACIVSA-N
XLogP1.11
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-diethylurea
CID 7552346
3-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-di(propan-2-yl)urea
CID 43970629
1-cyclohexyl-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7216073
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-ethylbutanamide
CID 7255699
1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-ethylurea
CID 43970655
1-butyl-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea
CID 7552484
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 7564250
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 7255696
3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971326
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 18573415
1,1-bis(2-chloroethyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969513
4-bromo-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971347

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methoxyethyl)urea (CID 7244358) is 3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of 3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methoxyethyl)urea?
The InChIKey is KSZFVOGYWLHNMM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29N3O6/c1-25-9-7-21(8-10-26-2)19(24)20-14-11-18(23)22(13-14)15-5-6-16(27-3)17(12-15)28-4/h5-6,12,14H,7-11,13H2,1-4H3,(H,20,24)/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methoxyethyl)urea?
3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methoxyethyl)urea has a molecular weight of 395.46 g/mol, XLogP of 1.11, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 7244358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).