1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea

C20H22N2O3 — CID 14152806

IUPAC1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea
SMILESCC(C)c1coc2ccc(Oc3ccc(NC(=O)N(C)C)cc3)cc12
InChIInChI=1S/C20H22N2O3/c1-13(2)18-12-24-19-10-9-16(11-17(18)19)25-15-7-5-14(6-8-15)21-20(23)22(3)4/h5-13H,1-4H3,(H,21,23)
InChIKeyACOBCKFVZQRQQH-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.44
Rot. Bonds4

About 1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea

1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea (PubChem CID 14152806) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea
PubChem CID14152806
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea
SMILESCC(C)c1coc2ccc(Oc3ccc(NC(=O)N(C)C)cc3)cc12
InChIInChI=1S/C20H22N2O3/c1-13(2)18-12-24-19-10-9-16(11-17(18)19)25-15-7-5-14(6-8-15)21-20(23)22(3)4/h5-13H,1-4H3,(H,21,23)
InChIKeyACOBCKFVZQRQQH-UHFFFAOYSA-N
XLogP5.44
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea
CID 14152802
3-[4-[4-[4-(dimethylcarbamoylamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1-dimethylurea
CID 18801582
5-fluoro-3-propan-2-yl-1-benzofuran
CID 23568686
5-tert-butyl-3-propan-2-yl-1-benzofuran
CID 176774938
3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea
CID 21391449
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 32942559
1,1-dimethyl-3-[4-(3-prop-2-ynoxyphenoxy)phenyl]urea
CID 20507025
2-(5-methyl-1-benzofuran-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 18872348
3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea
CID 21391446
1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea
CID 13292214
N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 31303355
methyl 2-(6-methoxy-1-benzofuran-3-yl)-3-oxobutanoate
CID 23151510

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea?
The IUPAC name of 1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea (CID 14152806) is 1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea is CC(C)c1coc2ccc(Oc3ccc(NC(=O)N(C)C)cc3)cc12.
What is the InChIKey of 1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea?
The InChIKey is ACOBCKFVZQRQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13(2)18-12-24-19-10-9-16(11-17(18)19)25-15-7-5-14(6-8-15)21-20(23)22(3)4/h5-13H,1-4H3,(H,21,23).
What are the key properties of 1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea?
1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea has a molecular weight of 338.41 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea is sourced from PubChem (CID 14152806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).