1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea

C18H20N2O3 — CID 13292214

IUPAC1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea
SMILESCC(Oc1ccc(NC(=O)N(C)C)cc1)C(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13(17(21)14-7-5-4-6-8-14)23-16-11-9-15(10-12-16)19-18(22)20(2)3/h4-13H,1-3H3,(H,19,22)
InChIKeySSBKNHWSHMGIRO-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.43
Rot. Bonds5

About 1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea

1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea (PubChem CID 13292214) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea
PubChem CID13292214
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea
SMILESCC(Oc1ccc(NC(=O)N(C)C)cc1)C(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13(17(21)14-7-5-4-6-8-14)23-16-11-9-15(10-12-16)19-18(22)20(2)3/h4-13H,1-3H3,(H,19,22)
InChIKeySSBKNHWSHMGIRO-UHFFFAOYSA-N
XLogP3.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide
CID 19645060
3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218534
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one
CID 43411936
N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide
CID 7788104
N-[3-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 977194
1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one
CID 60624061
(2R)-N-(4-benzoylphenyl)-2-(4-methylphenoxy)propanamide
CID 1019881
1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea
CID 134113078
2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide
CID 39949041
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea?
The IUPAC name of 1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea (CID 13292214) is 1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea is CC(Oc1ccc(NC(=O)N(C)C)cc1)C(=O)c1ccccc1.
What is the InChIKey of 1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea?
The InChIKey is SSBKNHWSHMGIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(17(21)14-7-5-4-6-8-14)23-16-11-9-15(10-12-16)19-18(22)20(2)3/h4-13H,1-3H3,(H,19,22).
What are the key properties of 1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea?
1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea has a molecular weight of 312.37 g/mol, XLogP of 3.43, 5 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-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea is sourced from PubChem (CID 13292214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).