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

C14H20N2O2 — CID 110750051

IUPAC1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
SMILESCC(C)(C)NC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-14(2,3)16-13(17)15-11-8-9-18-12-7-5-4-6-10(11)12/h4-7,11H,8-9H2,1-3H3,(H2,15,16,17)
InChIKeyCPCKFXDIIHJMNK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.61
Rot. Bonds1

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

1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea (PubChem CID 110750051) 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-4-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
PubChem CID110750051
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
SMILESCC(C)(C)NC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-14(2,3)16-13(17)15-11-8-9-18-12-7-5-4-6-10(11)12/h4-7,11H,8-9H2,1-3H3,(H2,15,16,17)
InChIKeyCPCKFXDIIHJMNK-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
CID 55063461
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
CID 110866349
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxyethyl)urea
CID 97083391
1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea
CID 110866006
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea
CID 110933160
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-phenylprop-2-ynyl)urea
CID 51077520
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 71941344

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea?
The IUPAC name of 1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea (CID 110750051) is 1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea is CC(C)(C)NC(=O)NC1CCOc2ccccc21.
What is the InChIKey of 1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea?
The InChIKey is CPCKFXDIIHJMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)16-13(17)15-11-8-9-18-12-7-5-4-6-10(11)12/h4-7,11H,8-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea?
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea has a molecular weight of 248.33 g/mol, XLogP of 2.61, 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-4-yl)urea is sourced from PubChem (CID 110750051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).