1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea

C22H24N2O4 — CID 41182139

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
SMILESCOc1ccc2cc(CNC(=O)NCc3ccc(OC)c(OC)c3)ccc2c1
InChIInChI=1S/C22H24N2O4/c1-26-19-8-7-17-10-15(4-6-18(17)12-19)13-23-22(25)24-14-16-5-9-20(27-2)21(11-16)28-3/h4-12H,13-14H2,1-3H3,(H2,23,24,25)
InChIKeyGJUKYQRYXOOASG-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.87
Rot. Bonds7

About 1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea

1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea (PubChem CID 41182139) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
PubChem CID41182139
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
SMILESCOc1ccc2cc(CNC(=O)NCc3ccc(OC)c(OC)c3)ccc2c1
InChIInChI=1S/C22H24N2O4/c1-26-19-8-7-17-10-15(4-6-18(17)12-19)13-23-22(25)24-14-16-5-9-20(27-2)21(11-16)28-3/h4-12H,13-14H2,1-3H3,(H2,23,24,25)
InChIKeyGJUKYQRYXOOASG-UHFFFAOYSA-N
XLogP3.87
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea with MolForge

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46699791
1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 110894111
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
1-[(3,4-dimethoxyphenyl)methyl]-2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide
CID 111039094
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
2-(2,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9427593
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 24612073
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea (CID 41182139) is 1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea is COc1ccc2cc(CNC(=O)NCc3ccc(OC)c(OC)c3)ccc2c1.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
The InChIKey is GJUKYQRYXOOASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-26-19-8-7-17-10-15(4-6-18(17)12-19)13-23-22(25)24-14-16-5-9-20(27-2)21(11-16)28-3/h4-12H,13-14H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea has a molecular weight of 380.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea is sourced from PubChem (CID 41182139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).