1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea

C20H25N3O4 — CID 118777100

IUPAC1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea
SMILESCCN1CC(CN(C)C(=O)Nc2ccc(OCc3ccco3)cc2)CC1=O
InChIInChI=1S/C20H25N3O4/c1-3-23-13-15(11-19(23)24)12-22(2)20(25)21-16-6-8-17(9-7-16)27-14-18-5-4-10-26-18/h4-10,15H,3,11-14H2,1-2H3,(H,21,25)
InChIKeyVWQHYBQSWKOUIH-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.19
Rot. Bonds7

About 1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea

1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea (PubChem CID 118777100) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea
PubChem CID118777100
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea
SMILESCCN1CC(CN(C)C(=O)Nc2ccc(OCc3ccco3)cc2)CC1=O
InChIInChI=1S/C20H25N3O4/c1-3-23-13-15(11-19(23)24)12-22(2)20(25)21-16-6-8-17(9-7-16)27-14-18-5-4-10-26-18/h4-10,15H,3,11-14H2,1-2H3,(H,21,25)
InChIKeyVWQHYBQSWKOUIH-UHFFFAOYSA-N
XLogP3.19
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea with MolForge

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Related Compounds

8-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376215
1-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 2955360
N-(2-furylmethyl)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2981070
1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 2921642
N-[(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 3829738
(5R)-9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3235209
N-(2-(2-Furyl)vinyl)-N'-(4-methoxyphenyl)urea
CID 5875400
N-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 3956673
Pyrrolidine-1,2-dicarboxylic acid 1-[(4-ethoxy-phenyl)-amide] 2-[(furan-2-ylmethyl)-amide]
CID 3230274
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 16032343
4-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)butanamide
CID 1620327
4-[(Furan-2-carbonyl)-amino]-piperidine-1-carboxylic acid (4-methoxy-phenyl)-amide
CID 651346

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea?
The IUPAC name of 1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea (CID 118777100) is 1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea.
What is the SMILES notation for 1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea?
The canonical SMILES for 1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea is CCN1CC(CN(C)C(=O)Nc2ccc(OCc3ccco3)cc2)CC1=O.
What is the InChIKey of 1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea?
The InChIKey is VWQHYBQSWKOUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-23-13-15(11-19(23)24)12-22(2)20(25)21-16-6-8-17(9-7-16)27-14-18-5-4-10-26-18/h4-10,15H,3,11-14H2,1-2H3,(H,21,25).
What are the key properties of 1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea?
1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea has a molecular weight of 371.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea is sourced from PubChem (CID 118777100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).