1-butyl-3-(4-ethylcyclohexyl)urea

C13H26N2O — CID 78894754

IUPAC1-butyl-3-(4-ethylcyclohexyl)urea
SMILESCCCCNC(=O)NC1CCC(CC)CC1
InChIInChI=1S/C13H26N2O/c1-3-5-10-14-13(16)15-12-8-6-11(4-2)7-9-12/h11-12H,3-10H2,1-2H3,(H2,14,15,16)
InChIKeyCFIDVYWRVHGYKT-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.05
Rot. Bonds5

About 1-butyl-3-(4-ethylcyclohexyl)urea

1-butyl-3-(4-ethylcyclohexyl)urea (PubChem CID 78894754) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-butyl-3-(4-ethylcyclohexyl)urea.

Molecular Properties

Compound Name1-butyl-3-(4-ethylcyclohexyl)urea
PubChem CID78894754
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-butyl-3-(4-ethylcyclohexyl)urea
SMILESCCCCNC(=O)NC1CCC(CC)CC1
InChIInChI=1S/C13H26N2O/c1-3-5-10-14-13(16)15-12-8-6-11(4-2)7-9-12/h11-12H,3-10H2,1-2H3,(H2,14,15,16)
InChIKeyCFIDVYWRVHGYKT-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
1-(4-ethylcyclohexyl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111505061
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
1-butyl-3-(1,1-dioxothian-4-yl)urea
CID 115585815
ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate
CID 17174375
1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225883
1-amino-3-(4-ethylcyclohexyl)urea
CID 61468290
1-butyl-3-(3-methoxycyclopentyl)urea
CID 103082290
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
1-cyclopentyl-3-propylurea
CID 14343339
1-cyclopropyl-3-(4,4-dimethylpentyl)urea
CID 110617831

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(4-ethylcyclohexyl)urea?
The IUPAC name of 1-butyl-3-(4-ethylcyclohexyl)urea (CID 78894754) is 1-butyl-3-(4-ethylcyclohexyl)urea.
What is the SMILES notation for 1-butyl-3-(4-ethylcyclohexyl)urea?
The canonical SMILES for 1-butyl-3-(4-ethylcyclohexyl)urea is CCCCNC(=O)NC1CCC(CC)CC1.
What is the InChIKey of 1-butyl-3-(4-ethylcyclohexyl)urea?
The InChIKey is CFIDVYWRVHGYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-5-10-14-13(16)15-12-8-6-11(4-2)7-9-12/h11-12H,3-10H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-butyl-3-(4-ethylcyclohexyl)urea?
1-butyl-3-(4-ethylcyclohexyl)urea has a molecular weight of 226.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(4-ethylcyclohexyl)urea is sourced from PubChem (CID 78894754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).