1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea

C21H20N2O4 — CID 163818652

IUPAC1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea
SMILESCOc1cc(OC)cc(C(=O)CNC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C21H20N2O4/c1-26-16-10-15(11-17(12-16)27-2)20(24)13-22-21(25)23-19-9-5-7-14-6-3-4-8-18(14)19/h3-12H,13H2,1-2H3,(H2,22,23,25)
InChIKeyNTNOHBDTZHHIJE-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.86
Rot. Bonds6

About 1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea

1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea (PubChem CID 163818652) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea
PubChem CID163818652
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea
SMILESCOc1cc(OC)cc(C(=O)CNC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C21H20N2O4/c1-26-16-10-15(11-17(12-16)27-2)20(24)13-22-21(25)23-19-9-5-7-14-6-3-4-8-18(14)19/h3-12H,13H2,1-2H3,(H2,22,23,25)
InChIKeyNTNOHBDTZHHIJE-UHFFFAOYSA-N
XLogP3.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea
CID 17490110
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
2-anilino-1-(3,5-dimethoxyphenyl)ethanone
CID 116555372
1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664928
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea
CID 23938828
N-isoquinolin-5-yl-3,5-dimethoxybenzamide
CID 8763148
1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea
CID 108879176
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea (CID 163818652) is 1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea is COc1cc(OC)cc(C(=O)CNC(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of 1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea?
The InChIKey is NTNOHBDTZHHIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-26-16-10-15(11-17(12-16)27-2)20(24)13-22-21(25)23-19-9-5-7-14-6-3-4-8-18(14)19/h3-12H,13H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea?
1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea has a molecular weight of 364.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 163818652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).