1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea

C16H22N2O3 — CID 126769025

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea
SMILESO=C(NCC1CCCOC1)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C16H22N2O3/c19-16(17-10-12-3-1-7-20-11-12)18-14-5-6-15-13(9-14)4-2-8-21-15/h5-6,9,12H,1-4,7-8,10-11H2,(H2,17,18,19)
InChIKeyQTCJHXKFVMNHRH-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.56
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea

1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea (PubChem CID 126769025) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea
PubChem CID126769025
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea
SMILESO=C(NCC1CCCOC1)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C16H22N2O3/c19-16(17-10-12-3-1-7-20-11-12)18-14-5-6-15-13(9-14)4-2-8-21-15/h5-6,9,12H,1-4,7-8,10-11H2,(H2,17,18,19)
InChIKeyQTCJHXKFVMNHRH-UHFFFAOYSA-N
XLogP2.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea (CID 126769025) is 1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea is O=C(NCC1CCCOC1)Nc1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea?
The InChIKey is QTCJHXKFVMNHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-16(17-10-12-3-1-7-20-11-12)18-14-5-6-15-13(9-14)4-2-8-21-15/h5-6,9,12H,1-4,7-8,10-11H2,(H2,17,18,19).
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea?
1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea has a molecular weight of 290.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea is sourced from PubChem (CID 126769025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).