1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea

C20H20N2O3 — CID 38167516

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
SMILESCOc1ccc(CNC(=O)Nc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C20H20N2O3/c1-24-18-10-7-14(11-19(18)25-2)13-21-20(23)22-17-9-8-15-5-3-4-6-16(15)12-17/h3-12H,13H2,1-2H3,(H2,21,22,23)
InChIKeyPYKYTRLTYYQLSC-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.18
Rot. Bonds5

About 1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea

1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea (PubChem CID 38167516) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
PubChem CID38167516
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
SMILESCOc1ccc(CNC(=O)Nc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C20H20N2O3/c1-24-18-10-7-14(11-19(18)25-2)13-21-20(23)22-17-9-8-15-5-3-4-6-16(15)12-17/h3-12H,13H2,1-2H3,(H2,21,22,23)
InChIKeyPYKYTRLTYYQLSC-UHFFFAOYSA-N
XLogP4.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38167581
1-(3-aminooxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 142259759
2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide
CID 38216970
1-(4-amino-3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896754
1-[(4-bromophenyl)methyl]-3-(3,4-dimethoxyphenyl)urea
CID 108866298
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38202852
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 3613341
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 38268450
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 26531500
N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 17070225

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea (CID 38167516) is 1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea is COc1ccc(CNC(=O)Nc2ccc3ccccc3c2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea?
The InChIKey is PYKYTRLTYYQLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-24-18-10-7-14(11-19(18)25-2)13-21-20(23)22-17-9-8-15-5-3-4-6-16(15)12-17/h3-12H,13H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea?
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea has a molecular weight of 336.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 38167516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).