1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea

C20H25N3O2 — CID 136515061

IUPAC1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)NC1C2C3CCC(C3)C12
InChIInChI=1S/C20H25N3O2/c24-19(23-9-1-2-10-23)12-5-7-15(8-6-12)21-20(25)22-18-16-13-3-4-14(11-13)17(16)18/h5-8,13-14,16-18H,1-4,9-11H2,(H2,21,22,25)
InChIKeyINYLVVBCISZVPB-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.09
Rot. Bonds3

About 1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea

1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea (PubChem CID 136515061) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea.

Molecular Properties

Compound Name1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea
PubChem CID136515061
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)NC1C2C3CCC(C3)C12
InChIInChI=1S/C20H25N3O2/c24-19(23-9-1-2-10-23)12-5-7-15(8-6-12)21-20(25)22-18-16-13-3-4-14(11-13)17(16)18/h5-8,13-14,16-18H,1-4,9-11H2,(H2,21,22,25)
InChIKeyINYLVVBCISZVPB-UHFFFAOYSA-N
XLogP3.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,3R,4S)-3-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18558016
4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide
CID 136516132
(2R,3R)-3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27520191
3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 17374583
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806427
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119702395
1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 60545836
(E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide
CID 167944713

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea?
The IUPAC name of 1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea (CID 136515061) is 1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea.
What is the SMILES notation for 1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea?
The canonical SMILES for 1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)NC1C2C3CCC(C3)C12.
What is the InChIKey of 1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea?
The InChIKey is INYLVVBCISZVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19(23-9-1-2-10-23)12-5-7-15(8-6-12)21-20(25)22-18-16-13-3-4-14(11-13)17(16)18/h5-8,13-14,16-18H,1-4,9-11H2,(H2,21,22,25).
What are the key properties of 1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea?
1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea has a molecular weight of 339.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea is sourced from PubChem (CID 136515061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).