1-(2-morpholin-4-ylethyl)-3-(4-phenylbutyl)urea

C17H27N3O2 — CID 118398512

IUPAC1-(2-morpholin-4-ylethyl)-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)NCCN1CCOCC1
InChIInChI=1S/C17H27N3O2/c21-17(19-10-11-20-12-14-22-15-13-20)18-9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2,(H2,18,19,21)
InChIKeySFYZQXUOJNBHSE-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.64
Rot. Bonds8

About 1-(2-morpholin-4-ylethyl)-3-(4-phenylbutyl)urea

1-(2-morpholin-4-ylethyl)-3-(4-phenylbutyl)urea (PubChem CID 118398512) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-(4-phenylbutyl)urea
PubChem CID118398512
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-(2-morpholin-4-ylethyl)-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)NCCN1CCOCC1
InChIInChI=1S/C17H27N3O2/c21-17(19-10-11-20-12-14-22-15-13-20)18-9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2,(H2,18,19,21)
InChIKeySFYZQXUOJNBHSE-UHFFFAOYSA-N
XLogP1.64
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-(4-phenylbutyl)urea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-(4-phenylbutyl)urea (CID 118398512) is 1-(2-morpholin-4-ylethyl)-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-(4-phenylbutyl)urea is O=C(NCCCCc1ccccc1)NCCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-(4-phenylbutyl)urea?
The InChIKey is SFYZQXUOJNBHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c21-17(19-10-11-20-12-14-22-15-13-20)18-9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2,(H2,18,19,21).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-(4-phenylbutyl)urea?
1-(2-morpholin-4-ylethyl)-3-(4-phenylbutyl)urea has a molecular weight of 305.42 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-(4-phenylbutyl)urea is sourced from PubChem (CID 118398512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).