1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea

C15H20N2O4 — CID 91649447

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea
SMILESO=C(NOC1CCCCO1)NC1COc2ccccc2C1
InChIInChI=1S/C15H20N2O4/c18-15(17-21-14-7-3-4-8-19-14)16-12-9-11-5-1-2-6-13(11)20-10-12/h1-2,5-6,12,14H,3-4,7-10H2,(H2,16,17,18)
InChIKeyXOMYVLLXZBLGSG-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.75
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea

1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea (PubChem CID 91649447) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea
PubChem CID91649447
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea
SMILESO=C(NOC1CCCCO1)NC1COc2ccccc2C1
InChIInChI=1S/C15H20N2O4/c18-15(17-21-14-7-3-4-8-19-14)16-12-9-11-5-1-2-6-13(11)20-10-12/h1-2,5-6,12,14H,3-4,7-10H2,(H2,16,17,18)
InChIKeyXOMYVLLXZBLGSG-UHFFFAOYSA-N
XLogP1.75
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630644
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
(2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 175727284
1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]urea
CID 98794380
4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
CID 110751510
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119734023
1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea
CID 22580776
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide
CID 22580756
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea
CID 92713508
N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
CID 110751024
9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985986

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea (CID 91649447) is 1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea is O=C(NOC1CCCCO1)NC1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea?
The InChIKey is XOMYVLLXZBLGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-15(17-21-14-7-3-4-8-19-14)16-12-9-11-5-1-2-6-13(11)20-10-12/h1-2,5-6,12,14H,3-4,7-10H2,(H2,16,17,18).
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea?
1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea has a molecular weight of 292.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea is sourced from PubChem (CID 91649447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).