1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea

C9H20N2O4 — CID 163553522

IUPAC1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea
SMILESCOCCCN(CC(O)COC)C(N)=O
InChIInChI=1S/C9H20N2O4/c1-14-5-3-4-11(9(10)13)6-8(12)7-15-2/h8,12H,3-7H2,1-2H3,(H2,10,13)
InChIKeyFLCKVIBJUBDHAX-UHFFFAOYSA-N
MW220.27 g/mol
LogP-0.59
Rot. Bonds8

About 1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea

1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea (PubChem CID 163553522) has the molecular formula C9H20N2O4 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea
PubChem CID163553522
Molecular FormulaC9H20N2O4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Name1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea
SMILESCOCCCN(CC(O)COC)C(N)=O
InChIInChI=1S/C9H20N2O4/c1-14-5-3-4-11(9(10)13)6-8(12)7-15-2/h8,12H,3-7H2,1-2H3,(H2,10,13)
InChIKeyFLCKVIBJUBDHAX-UHFFFAOYSA-N
XLogP-0.59
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide
CID 59873960
1-methoxy-3-[3-(2-methoxyethoxy)propyl-methylamino]propan-2-ol
CID 103412009
1-(3-methoxypropyl)-1-sulfanylurea
CID 57174396
1-(2-methoxyethoxy)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-2-ol
CID 106991901
ethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide
CID 91080675
2-amino-3-[3-methoxypropyl(methyl)amino]propanamide
CID 63009708
5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)hexanamide
CID 82851354
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 61035306
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
2-amino-N,N-dibutyl-3-methoxypropanamide
CID 81081055
2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylpropanamide
CID 81089598
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 63678594

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea?
The IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea (CID 163553522) is 1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea.
What is the SMILES notation for 1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea?
The canonical SMILES for 1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea is COCCCN(CC(O)COC)C(N)=O.
What is the InChIKey of 1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea?
The InChIKey is FLCKVIBJUBDHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4/c1-14-5-3-4-11(9(10)13)6-8(12)7-15-2/h8,12H,3-7H2,1-2H3,(H2,10,13).
What are the key properties of 1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea?
1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea has a molecular weight of 220.27 g/mol, XLogP of -0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea is sourced from PubChem (CID 163553522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).