1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea

C14H20N2O2 — CID 110750876

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)C1CCOc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-10(2)15-14(17)16(3)12-8-9-18-13-7-5-4-6-11(12)13/h4-7,10,12H,8-9H2,1-3H3,(H,15,17)
InChIKeyBXDOQBGFSOEFKM-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.56
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea

1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea (PubChem CID 110750876) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea
PubChem CID110750876
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)C1CCOc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-10(2)15-14(17)16(3)12-8-9-18-13-7-5-4-6-11(12)13/h4-7,10,12H,8-9H2,1-3H3,(H,15,17)
InChIKeyBXDOQBGFSOEFKM-UHFFFAOYSA-N
XLogP2.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,2-dimethylpropyl)-1-methylurea
CID 110750879
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide
CID 134794474
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide
CID 110751156
N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide
CID 110751142
N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide
CID 110751162
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110751168
N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 110750956
2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid
CID 65064001
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492
N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
CID 110750957
N-(1-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648022
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
CID 55063461

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea (CID 110750876) is 1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea is CC(C)NC(=O)N(C)C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea?
The InChIKey is BXDOQBGFSOEFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)15-14(17)16(3)12-8-9-18-13-7-5-4-6-11(12)13/h4-7,10,12H,8-9H2,1-3H3,(H,15,17).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea?
1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea has a molecular weight of 248.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea is sourced from PubChem (CID 110750876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).