1-butyl-3-(2-propan-2-ylcyclohexyl)urea

C14H28N2O — CID 115610978

IUPAC1-butyl-3-(2-propan-2-ylcyclohexyl)urea
SMILESCCCCNC(=O)NC1CCCCC1C(C)C
InChIInChI=1S/C14H28N2O/c1-4-5-10-15-14(17)16-13-9-7-6-8-12(13)11(2)3/h11-13H,4-10H2,1-3H3,(H2,15,16,17)
InChIKeyBDSLOZDCBDDEOL-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.30
Rot. Bonds5

About 1-butyl-3-(2-propan-2-ylcyclohexyl)urea

1-butyl-3-(2-propan-2-ylcyclohexyl)urea (PubChem CID 115610978) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-butyl-3-(2-propan-2-ylcyclohexyl)urea.

Molecular Properties

Compound Name1-butyl-3-(2-propan-2-ylcyclohexyl)urea
PubChem CID115610978
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-butyl-3-(2-propan-2-ylcyclohexyl)urea
SMILESCCCCNC(=O)NC1CCCCC1C(C)C
InChIInChI=1S/C14H28N2O/c1-4-5-10-15-14(17)16-13-9-7-6-8-12(13)11(2)3/h11-13H,4-10H2,1-3H3,(H2,15,16,17)
InChIKeyBDSLOZDCBDDEOL-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.30
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-undecyl-3-[(1R)-2-(undecylcarbamoylamino)cyclohexyl]urea
CID 91230133
1-(2-propan-2-ylcyclohexyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]urea
CID 86888627
1-butyl-3-(2-ethylcyclohexyl)urea
CID 115582575
1-butyl-3-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569161
(2S)-2-hydroxy-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]propanoic acid
CID 114007677
(2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid
CID 107567415
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea
CID 111455212
(2R)-2-amino-N-(2-propan-2-ylcyclohexyl)pentanamide
CID 103796389
1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea
CID 91447915
1-(2-methylcycloheptyl)-3-propylurea
CID 115660989
2-propan-2-yl-N-propylcyclohexan-1-amine
CID 62603110
N-butyl-2-cyclopentylpropanamide
CID 173178636

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-propan-2-ylcyclohexyl)urea?
The IUPAC name of 1-butyl-3-(2-propan-2-ylcyclohexyl)urea (CID 115610978) is 1-butyl-3-(2-propan-2-ylcyclohexyl)urea.
What is the SMILES notation for 1-butyl-3-(2-propan-2-ylcyclohexyl)urea?
The canonical SMILES for 1-butyl-3-(2-propan-2-ylcyclohexyl)urea is CCCCNC(=O)NC1CCCCC1C(C)C.
What is the InChIKey of 1-butyl-3-(2-propan-2-ylcyclohexyl)urea?
The InChIKey is BDSLOZDCBDDEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-5-10-15-14(17)16-13-9-7-6-8-12(13)11(2)3/h11-13H,4-10H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-butyl-3-(2-propan-2-ylcyclohexyl)urea?
1-butyl-3-(2-propan-2-ylcyclohexyl)urea has a molecular weight of 240.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-propan-2-ylcyclohexyl)urea is sourced from PubChem (CID 115610978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).