1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea

C21H27N3O3 — CID 125170612

IUPAC1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea
SMILESCc1cc2cc(NC(=O)N(C)C[C@H]3CC(=O)N(C4CCCC4)C3)ccc2o1
InChIInChI=1S/C21H27N3O3/c1-14-9-16-11-17(7-8-19(16)27-14)22-21(26)23(2)12-15-10-20(25)24(13-15)18-5-3-4-6-18/h7-9,11,15,18H,3-6,10,12-13H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyQDMPZAIXSORLTH-OAHLLOKOSA-N
MW369.47 g/mol
LogP4.00
Rot. Bonds4

About 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea

1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea (PubChem CID 125170612) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea.

Molecular Properties

Compound Name1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea
PubChem CID125170612
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea
SMILESCc1cc2cc(NC(=O)N(C)C[C@H]3CC(=O)N(C4CCCC4)C3)ccc2o1
InChIInChI=1S/C21H27N3O3/c1-14-9-16-11-17(7-8-19(16)27-14)22-21(26)23(2)12-15-10-20(25)24(13-15)18-5-3-4-6-18/h7-9,11,15,18H,3-6,10,12-13H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyQDMPZAIXSORLTH-OAHLLOKOSA-N
XLogP4.00
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea with MolForge

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Related Compounds

1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-methyl-3-(3,4,5-trifluorophenyl)urea
CID 72925137
1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
CID 125167246
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea
CID 131949003
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N,2,6-trimethylpyrimidine-4-carboxamide
CID 50960371
5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690794
1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 126448423
(4R)-1-cyclopentyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 26722502
(4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one
CID 95122565
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-(difluoromethoxy)-N-methylbenzamide
CID 131910552
1-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(triazol-1-yl)propyl]urea
CID 126429358
1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 83533637
1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluoro-3-methylphenyl)-1-methylurea
CID 97453937

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea?
The IUPAC name of 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea (CID 125170612) is 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea.
What is the SMILES notation for 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea?
The canonical SMILES for 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea is Cc1cc2cc(NC(=O)N(C)C[C@H]3CC(=O)N(C4CCCC4)C3)ccc2o1.
What is the InChIKey of 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea?
The InChIKey is QDMPZAIXSORLTH-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-9-16-11-17(7-8-19(16)27-14)22-21(26)23(2)12-15-10-20(25)24(13-15)18-5-3-4-6-18/h7-9,11,15,18H,3-6,10,12-13H2,1-2H3,(H,22,26)/t15-/m1/s1.
What are the key properties of 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea?
1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea has a molecular weight of 369.47 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea is sourced from PubChem (CID 125170612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).