1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea

C19H29N3O — CID 112980754

IUPAC1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
SMILESO=C(Nc1ccc(NC2CCCCC2)cc1)NC1CCCCC1
InChIInChI=1S/C19H29N3O/c23-19(21-16-9-5-2-6-10-16)22-18-13-11-17(12-14-18)20-15-7-3-1-4-8-15/h11-16,20H,1-10H2,(H2,21,22,23)
InChIKeyQSTJPFWOWAGHDJ-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.89
Rot. Bonds4

About 1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea

1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea (PubChem CID 112980754) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
PubChem CID112980754
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
SMILESO=C(Nc1ccc(NC2CCCCC2)cc1)NC1CCCCC1
InChIInChI=1S/C19H29N3O/c23-19(21-16-9-5-2-6-10-16)22-18-13-11-17(12-14-18)20-15-7-3-1-4-8-15/h11-16,20H,1-10H2,(H2,21,22,23)
InChIKeyQSTJPFWOWAGHDJ-UHFFFAOYSA-N
XLogP4.89
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea (CID 112980754) is 1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea is O=C(Nc1ccc(NC2CCCCC2)cc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea?
The InChIKey is QSTJPFWOWAGHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c23-19(21-16-9-5-2-6-10-16)22-18-13-11-17(12-14-18)20-15-7-3-1-4-8-15/h11-16,20H,1-10H2,(H2,21,22,23).
What are the key properties of 1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea?
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea has a molecular weight of 315.46 g/mol, XLogP of 4.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea is sourced from PubChem (CID 112980754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).