1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea

C14H20N2O2 — CID 134105455

IUPAC1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C14H20N2O2/c1-9(2)15-13(17)16-11-7-5-6-10-8-14(3,4)18-12(10)11/h5-7,9H,8H2,1-4H3,(H2,15,16,17)
InChIKeyCIVYCUMAXIERLM-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.93
Rot. Bonds2

About 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea

1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea (PubChem CID 134105455) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea
PubChem CID134105455
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C14H20N2O2/c1-9(2)15-13(17)16-11-7-5-6-10-8-14(3,4)18-12(10)11/h5-7,9H,8H2,1-4H3,(H2,15,16,17)
InChIKeyCIVYCUMAXIERLM-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide
CID 134093208
2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide
CID 134099930
4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide
CID 136562958
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855714
methyl 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propan-2-ylamino)acetate
CID 64507724
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide
CID 166412050
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide
CID 154868938
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 119046569
methyl 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-hydroxy-2-methylpropanoate
CID 64512701
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
CID 64508577
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 8863788
methyl 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methyl-4-oxobutanoate
CID 64507244

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea (CID 134105455) is 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1cccc2c1OC(C)(C)C2.
What is the InChIKey of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea?
The InChIKey is CIVYCUMAXIERLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)15-13(17)16-11-7-5-6-10-8-14(3,4)18-12(10)11/h5-7,9H,8H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea?
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea has a molecular weight of 248.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea is sourced from PubChem (CID 134105455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).