1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea

C22H29N3O2 — CID 124839022

IUPAC1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21
InChIInChI=1S/C22H29N3O2/c26-21-5-2-10-25(21)16-8-6-14(7-9-16)13-23-22(27)24-20-12-15-11-19(20)18-4-1-3-17(15)18/h6-9,15,17-20H,1-5,10-13H2,(H2,23,24,27)/t15-,17+,18-,19+,20-/m1/s1
InChIKeyNIRRUTXNLBBEDI-MTEHYEEQSA-N
MW367.49 g/mol
LogP3.44
Rot. Bonds4

About 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea

1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea (PubChem CID 124839022) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea.

Molecular Properties

Compound Name1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
PubChem CID124839022
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21
InChIInChI=1S/C22H29N3O2/c26-21-5-2-10-25(21)16-8-6-14(7-9-16)13-23-22(27)24-20-12-15-11-19(20)18-4-1-3-17(15)18/h6-9,15,17-20H,1-5,10-13H2,(H2,23,24,27)/t15-,17+,18-,19+,20-/m1/s1
InChIKeyNIRRUTXNLBBEDI-MTEHYEEQSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea with MolForge

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Related Compounds

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CID 124829821
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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea?
The IUPAC name of 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea (CID 124839022) is 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea.
What is the SMILES notation for 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea?
The canonical SMILES for 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea is O=C(NCc1ccc(N2CCCC2=O)cc1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21.
What is the InChIKey of 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea?
The InChIKey is NIRRUTXNLBBEDI-MTEHYEEQSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-21-5-2-10-25(21)16-8-6-14(7-9-16)13-23-22(27)24-20-12-15-11-19(20)18-4-1-3-17(15)18/h6-9,15,17-20H,1-5,10-13H2,(H2,23,24,27)/t15-,17+,18-,19+,20-/m1/s1.
What are the key properties of 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea?
1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea has a molecular weight of 367.49 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea is sourced from PubChem (CID 124839022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).