1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea

C14H20N2O2 — CID 110748414

IUPAC1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea
SMILESCC(C)(C)NC(=O)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C14H20N2O2/c1-14(2,3)16-13(17)15-11-6-7-12-10(9-11)5-4-8-18-12/h6-7,9H,4-5,8H2,1-3H3,(H2,15,16,17)
InChIKeyDQUPPEYMXFBQJX-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.93
Rot. Bonds1

About 1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea

1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea (PubChem CID 110748414) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea
PubChem CID110748414
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea
SMILESCC(C)(C)NC(=O)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C14H20N2O2/c1-14(2,3)16-13(17)15-11-6-7-12-10(9-11)5-4-8-18-12/h6-7,9H,4-5,8H2,1-3H3,(H2,15,16,17)
InChIKeyDQUPPEYMXFBQJX-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
CID 115193294
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
CID 115140407
4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-4-methylpentanamide
CID 115157512
N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
CID 115166948
N-(3,4-dihydro-2H-chromen-6-yl)pyridine-4-carboxamide
CID 110726182
N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide
CID 110744167
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610
N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
CID 110726170
1-tert-butyl-3-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 100694484
2-(3,4-dihydro-2H-chromen-6-ylamino)-2-methylpropanenitrile
CID 115129022
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
CID 25352937
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 110866492

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea?
The IUPAC name of 1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea (CID 110748414) is 1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea is CC(C)(C)NC(=O)Nc1ccc2c(c1)CCCO2.
What is the InChIKey of 1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea?
The InChIKey is DQUPPEYMXFBQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)16-13(17)15-11-6-7-12-10(9-11)5-4-8-18-12/h6-7,9H,4-5,8H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea?
1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea has a molecular weight of 248.33 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea is sourced from PubChem (CID 110748414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).