1-benzyl-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea

C19H27N3O2 — CID 647179

IUPAC1-benzyl-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea
SMILESO=C(NCc1ccccc1)NC1(C(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C19H27N3O2/c23-17(22-13-7-8-14-22)19(11-5-2-6-12-19)21-18(24)20-15-16-9-3-1-4-10-16/h1,3-4,9-10H,2,5-8,11-15H2,(H2,20,21,24)
InChIKeyMAOPJHOUQJUPDK-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.81
Rot. Bonds4

About 1-benzyl-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea

1-benzyl-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea (PubChem CID 647179) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-benzyl-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea
PubChem CID647179
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-benzyl-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea
SMILESO=C(NCc1ccccc1)NC1(C(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C19H27N3O2/c23-17(22-13-7-8-14-22)19(11-5-2-6-12-19)21-18(24)20-15-16-9-3-1-4-10-16/h1,3-4,9-10H,2,5-8,11-15H2,(H2,20,21,24)
InChIKeyMAOPJHOUQJUPDK-UHFFFAOYSA-N
XLogP2.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea?
The IUPAC name of 1-benzyl-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea (CID 647179) is 1-benzyl-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea.
What is the SMILES notation for 1-benzyl-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea?
The canonical SMILES for 1-benzyl-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea is O=C(NCc1ccccc1)NC1(C(=O)N2CCCC2)CCCCC1.
What is the InChIKey of 1-benzyl-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea?
The InChIKey is MAOPJHOUQJUPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-17(22-13-7-8-14-22)19(11-5-2-6-12-19)21-18(24)20-15-16-9-3-1-4-10-16/h1,3-4,9-10H,2,5-8,11-15H2,(H2,20,21,24).
What are the key properties of 1-benzyl-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea?
1-benzyl-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea has a molecular weight of 329.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea is sourced from PubChem (CID 647179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).