1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea

C19H23N3O3 — CID 25373724

IUPAC1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea
SMILESO=C(NCc1ccco1)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c23-18-12-16(21-19(24)20-13-17-9-5-11-25-17)14-22(18)10-4-8-15-6-2-1-3-7-15/h1-3,5-7,9,11,16H,4,8,10,12-14H2,(H2,20,21,24)/t16-/m1/s1
InChIKeyKHGNPOVYGDWIRA-MRXNPFEDSA-N
MW341.41 g/mol
LogP2.31
Rot. Bonds7

About 1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea

1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea (PubChem CID 25373724) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea
PubChem CID25373724
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea
SMILESO=C(NCc1ccco1)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c23-18-12-16(21-19(24)20-13-17-9-5-11-25-17)14-22(18)10-4-8-15-6-2-1-3-7-15/h1-3,5-7,9,11,16H,4,8,10,12-14H2,(H2,20,21,24)/t16-/m1/s1
InChIKeyKHGNPOVYGDWIRA-MRXNPFEDSA-N
XLogP2.31
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 45198219
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898555
2-methylsulfanyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 45205295
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-phenylbutyl)urea
CID 108876718
2-methylsulfanyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 25483856
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide
CID 95316735
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 45176103
1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 94796717
1-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 7215524
5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 42527641
2-(dimethylamino)-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
CID 26392506
6-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 26394314

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea (CID 25373724) is 1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea is O=C(NCc1ccco1)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea?
The InChIKey is KHGNPOVYGDWIRA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-18-12-16(21-19(24)20-13-17-9-5-11-25-17)14-22(18)10-4-8-15-6-2-1-3-7-15/h1-3,5-7,9,11,16H,4,8,10,12-14H2,(H2,20,21,24)/t16-/m1/s1.
What are the key properties of 1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea?
1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea has a molecular weight of 341.41 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 25373724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).