1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea

C9H18N2O3 — CID 117234625

IUPAC1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea
SMILESO=C(NCCO)NCC1CCOCC1
InChIInChI=1S/C9H18N2O3/c12-4-3-10-9(13)11-7-8-1-5-14-6-2-8/h8,12H,1-7H2,(H2,10,11,13)
InChIKeyNLQCQFUYYFVVDN-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.30
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea

1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea (PubChem CID 117234625) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea
PubChem CID117234625
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea
SMILESO=C(NCCO)NCC1CCOCC1
InChIInChI=1S/C9H18N2O3/c12-4-3-10-9(13)11-7-8-1-5-14-6-2-8/h8,12H,1-7H2,(H2,10,11,13)
InChIKeyNLQCQFUYYFVVDN-UHFFFAOYSA-N
XLogP-0.30
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1,1-dioxothian-4-yl)methyl]-3-(2-hydroxyethyl)urea
CID 117234633
ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate
CID 108913003
1-(oxan-4-ylmethyl)-3-prop-2-enylurea
CID 108912891
1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea
CID 108913018
1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea
CID 108902594
2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid
CID 62385844
1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108912931
1-[(oxan-4-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436924
1-[(1,1-dioxothian-3-yl)methyl]-3-(2-hydroxyethyl)urea
CID 117235123
1-[2-(oxan-4-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497651
3-cyclopropyl-3-(oxan-4-ylmethylcarbamoylamino)propanoic acid
CID 82002423
2-(oxan-4-ylmethylcarbamoylamino)butanoic acid
CID 63708074

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea (CID 117234625) is 1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea is O=C(NCCO)NCC1CCOCC1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea?
The InChIKey is NLQCQFUYYFVVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c12-4-3-10-9(13)11-7-8-1-5-14-6-2-8/h8,12H,1-7H2,(H2,10,11,13).
What are the key properties of 1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea?
1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea has a molecular weight of 202.25 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 117234625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).