2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea

C12H25N3O3 — CID 83120361

IUPAC2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea
SMILESNC(=O)NCCNCC(O)COC1CCCCC1
InChIInChI=1S/C12H25N3O3/c13-12(17)15-7-6-14-8-10(16)9-18-11-4-2-1-3-5-11/h10-11,14,16H,1-9H2,(H3,13,15,17)
InChIKeyKZXAPYJWUUGWPC-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.05
Rot. Bonds8

About 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea

2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea (PubChem CID 83120361) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea.

Molecular Properties

Compound Name2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea
PubChem CID83120361
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea
SMILESNC(=O)NCCNCC(O)COC1CCCCC1
InChIInChI=1S/C12H25N3O3/c13-12(17)15-7-6-14-8-10(16)9-18-11-4-2-1-3-5-11/h10-11,14,16H,1-9H2,(H3,13,15,17)
InChIKeyKZXAPYJWUUGWPC-UHFFFAOYSA-N
XLogP-0.05
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide
CID 54938816
2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide
CID 106237886
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 54934973
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide
CID 61218646
1-cyclohexyloxy-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 60969149
4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide
CID 61044585
1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol
CID 60909932
3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938914
1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol
CID 60635341

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea?
The IUPAC name of 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea (CID 83120361) is 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea.
What is the SMILES notation for 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea?
The canonical SMILES for 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea is NC(=O)NCCNCC(O)COC1CCCCC1.
What is the InChIKey of 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea?
The InChIKey is KZXAPYJWUUGWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c13-12(17)15-7-6-14-8-10(16)9-18-11-4-2-1-3-5-11/h10-11,14,16H,1-9H2,(H3,13,15,17).
What are the key properties of 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea?
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea has a molecular weight of 259.35 g/mol, XLogP of -0.05, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea is sourced from PubChem (CID 83120361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).