1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea

C19H29N3O5 — CID 55933420

IUPAC1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(C(C)NC(=O)NC(C)CN2CCCC2=O)cc(OC)c1OC
InChIInChI=1S/C19H29N3O5/c1-12(11-22-8-6-7-17(22)23)20-19(24)21-13(2)14-9-15(25-3)18(27-5)16(10-14)26-4/h9-10,12-13H,6-8,11H2,1-5H3,(H2,20,21,24)
InChIKeyYZBSGCCMRUGGAO-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.08
Rot. Bonds8

About 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea

1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea (PubChem CID 55933420) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
PubChem CID55933420
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Name1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(C(C)NC(=O)NC(C)CN2CCCC2=O)cc(OC)c1OC
InChIInChI=1S/C19H29N3O5/c1-12(11-22-8-6-7-17(22)23)20-19(24)21-13(2)14-9-15(25-3)18(27-5)16(10-14)26-4/h9-10,12-13H,6-8,11H2,1-5H3,(H2,20,21,24)
InChIKeyYZBSGCCMRUGGAO-UHFFFAOYSA-N
XLogP2.08
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea with MolForge

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Related Compounds

1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 95283473
1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60931344
4-bromo-2-methoxy-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 78988208
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 136577101
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122569948
1-cyclobutyl-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 136524316
1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 136514128
1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60930710
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 126817252
2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride
CID 119740547
1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one
CID 43212285

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea (CID 55933420) is 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea is COc1cc(C(C)NC(=O)NC(C)CN2CCCC2=O)cc(OC)c1OC.
What is the InChIKey of 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea?
The InChIKey is YZBSGCCMRUGGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-12(11-22-8-6-7-17(22)23)20-19(24)21-13(2)14-9-15(25-3)18(27-5)16(10-14)26-4/h9-10,12-13H,6-8,11H2,1-5H3,(H2,20,21,24).
What are the key properties of 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea?
1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea has a molecular weight of 379.46 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 55933420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).