2-[(4-phenylcyclohexyl)amino]ethylurea

C15H23N3O — CID 83111311

IUPAC2-[(4-phenylcyclohexyl)amino]ethylurea
SMILESNC(=O)NCCNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c16-15(19)18-11-10-17-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-5,13-14,17H,6-11H2,(H3,16,18,19)
InChIKeyGMMILMKOKHPVFM-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.97
Rot. Bonds5

About 2-[(4-phenylcyclohexyl)amino]ethylurea

2-[(4-phenylcyclohexyl)amino]ethylurea (PubChem CID 83111311) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(4-phenylcyclohexyl)amino]ethylurea.

Molecular Properties

Compound Name2-[(4-phenylcyclohexyl)amino]ethylurea
PubChem CID83111311
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[(4-phenylcyclohexyl)amino]ethylurea
SMILESNC(=O)NCCNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c16-15(19)18-11-10-17-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-5,13-14,17H,6-11H2,(H3,16,18,19)
InChIKeyGMMILMKOKHPVFM-UHFFFAOYSA-N
XLogP1.97
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 2-[(4-phenylcyclohexyl)amino]ethylurea?
The IUPAC name of 2-[(4-phenylcyclohexyl)amino]ethylurea (CID 83111311) is 2-[(4-phenylcyclohexyl)amino]ethylurea.
What is the SMILES notation for 2-[(4-phenylcyclohexyl)amino]ethylurea?
The canonical SMILES for 2-[(4-phenylcyclohexyl)amino]ethylurea is NC(=O)NCCNC1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-[(4-phenylcyclohexyl)amino]ethylurea?
The InChIKey is GMMILMKOKHPVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-15(19)18-11-10-17-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-5,13-14,17H,6-11H2,(H3,16,18,19).
What are the key properties of 2-[(4-phenylcyclohexyl)amino]ethylurea?
2-[(4-phenylcyclohexyl)amino]ethylurea has a molecular weight of 261.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylcyclohexyl)amino]ethylurea is sourced from PubChem (CID 83111311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).