1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea

C20H21N3O3 — CID 97199258

IUPAC1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea
SMILESO=C(NC1CC1)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C20H21N3O3/c24-19-12-15(22-20(25)21-14-6-7-14)13-23(19)16-8-10-18(11-9-16)26-17-4-2-1-3-5-17/h1-5,8-11,14-15H,6-7,12-13H2,(H2,21,22,25)/t15-/m1/s1
InChIKeyAQWUPRXGFISVAE-OAHLLOKOSA-N
MW351.41 g/mol
LogP3.05
Rot. Bonds5

About 1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea

1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea (PubChem CID 97199258) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea
PubChem CID97199258
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea
SMILESO=C(NC1CC1)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C20H21N3O3/c24-19-12-15(22-20(25)21-14-6-7-14)13-23(19)16-8-10-18(11-9-16)26-17-4-2-1-3-5-17/h1-5,8-11,14-15H,6-7,12-13H2,(H2,21,22,25)/t15-/m1/s1
InChIKeyAQWUPRXGFISVAE-OAHLLOKOSA-N
XLogP3.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea
CID 7513892
1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513394
1-methyl-3-[5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]thiourea
CID 47950017
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
1-cyclopentyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548061
1-cyclopentyl-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970310
1-cyclopentyl-3-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548063
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 7215297
1-(4-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513465
1-cycloheptyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544202
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 7255321
benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate
CID 110736817

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea (CID 97199258) is 1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea is O=C(NC1CC1)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of 1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea?
The InChIKey is AQWUPRXGFISVAE-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-19-12-15(22-20(25)21-14-6-7-14)13-23(19)16-8-10-18(11-9-16)26-17-4-2-1-3-5-17/h1-5,8-11,14-15H,6-7,12-13H2,(H2,21,22,25)/t15-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea?
1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea has a molecular weight of 351.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 97199258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).