3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea

C13H27N3O4 — CID 83121091

IUPAC3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNCC(O)COCC1CCCO1
InChIInChI=1S/C13H27N3O4/c1-16(2)13(18)15-6-5-14-8-11(17)9-19-10-12-4-3-7-20-12/h11-12,14,17H,3-10H2,1-2H3,(H,15,18)
InChIKeyUHBMUTVYXYRUHM-UHFFFAOYSA-N
MW289.38 g/mol
LogP-0.60
Rot. Bonds9

About 3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea

3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea (PubChem CID 83121091) has the molecular formula C13H27N3O4 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea
PubChem CID83121091
Molecular FormulaC13H27N3O4
Molecular Weight289.38 g/mol
Exact Mass289.20
IUPAC Name3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNCC(O)COCC1CCCO1
InChIInChI=1S/C13H27N3O4/c1-16(2)13(18)15-6-5-14-8-11(17)9-19-10-12-4-3-7-20-12/h11-12,14,17H,3-10H2,1-2H3,(H,15,18)
InChIKeyUHBMUTVYXYRUHM-UHFFFAOYSA-N
XLogP-0.60
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide
CID 60901786
N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide
CID 115585771
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
(2R)-1-[2-(2-hydroxyethoxy)ethylamino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 94562031
ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate
CID 54937670
1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
CID 106325500
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide
CID 54950771
3-[2-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83113488
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61038865
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106025608
1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634305
1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60970222

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea (CID 83121091) is 3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNCC(O)COCC1CCCO1.
What is the InChIKey of 3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea?
The InChIKey is UHBMUTVYXYRUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4/c1-16(2)13(18)15-6-5-14-8-11(17)9-19-10-12-4-3-7-20-12/h11-12,14,17H,3-10H2,1-2H3,(H,15,18).
What are the key properties of 3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea?
3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea has a molecular weight of 289.38 g/mol, XLogP of -0.60, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83121091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).