1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea

C23H35N3O2 — CID 71884962

IUPAC1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
SMILESCC(NC(=O)NC1CC2CCC1(C)C2(C)C)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H35N3O2/c1-16(17-5-7-19(8-6-17)26-11-13-28-14-12-26)24-21(27)25-20-15-18-9-10-23(20,4)22(18,2)3/h5-8,16,18,20H,9-15H2,1-4H3,(H2,24,25,27)
InChIKeyDCAIPDVOFQLIRP-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.10
Rot. Bonds4

About 1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea

1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea (PubChem CID 71884962) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea.

Molecular Properties

Compound Name1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
PubChem CID71884962
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
SMILESCC(NC(=O)NC1CC2CCC1(C)C2(C)C)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H35N3O2/c1-16(17-5-7-19(8-6-17)26-11-13-28-14-12-26)24-21(27)25-20-15-18-9-10-23(20,4)22(18,2)3/h5-8,16,18,20H,9-15H2,1-4H3,(H2,24,25,27)
InChIKeyDCAIPDVOFQLIRP-UHFFFAOYSA-N
XLogP4.10
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea?
The IUPAC name of 1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea (CID 71884962) is 1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea.
What is the SMILES notation for 1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea?
The canonical SMILES for 1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea is CC(NC(=O)NC1CC2CCC1(C)C2(C)C)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea?
The InChIKey is DCAIPDVOFQLIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-16(17-5-7-19(8-6-17)26-11-13-28-14-12-26)24-21(27)25-20-15-18-9-10-23(20,4)22(18,2)3/h5-8,16,18,20H,9-15H2,1-4H3,(H2,24,25,27).
What are the key properties of 1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea?
1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea has a molecular weight of 385.55 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea is sourced from PubChem (CID 71884962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).