1-[(4-ethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-methylcinnolin-5-yl)urea

C22H26N4O2 — CID 72880882

IUPAC1-[(4-ethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-methylcinnolin-5-yl)urea
SMILESCCc1ccc(CN(CCOC)C(=O)Nc2cccc3nnc(C)cc23)cc1
InChIInChI=1S/C22H26N4O2/c1-4-17-8-10-18(11-9-17)15-26(12-13-28-3)22(27)23-20-6-5-7-21-19(20)14-16(2)24-25-21/h5-11,14H,4,12-13,15H2,1-3H3,(H,23,27)
InChIKeyBVQUPFCDHNSONC-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.18
Rot. Bonds7

About 1-[(4-ethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-methylcinnolin-5-yl)urea

1-[(4-ethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-methylcinnolin-5-yl)urea (PubChem CID 72880882) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-methylcinnolin-5-yl)urea.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-methylcinnolin-5-yl)urea
PubChem CID72880882
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[(4-ethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-methylcinnolin-5-yl)urea
SMILESCCc1ccc(CN(CCOC)C(=O)Nc2cccc3nnc(C)cc23)cc1
InChIInChI=1S/C22H26N4O2/c1-4-17-8-10-18(11-9-17)15-26(12-13-28-3)22(27)23-20-6-5-7-21-19(20)14-16(2)24-25-21/h5-11,14H,4,12-13,15H2,1-3H3,(H,23,27)
InChIKeyBVQUPFCDHNSONC-UHFFFAOYSA-N
XLogP4.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea
CID 86987084
1-(2-methoxyethyl)-3-naphthalen-1-yl-1-propylurea
CID 3823639
[3-[[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]methyl]phenyl] methanesulfonate
CID 42775572
3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 121085266
[4-[[(2,3-dimethylphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate
CID 3432531
methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate
CID 118781930
3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 42773322
3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea
CID 119064153
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 50985198
[3-[[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 4088813
1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea
CID 47072864
N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 4239612

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-methylcinnolin-5-yl)urea?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-methylcinnolin-5-yl)urea (CID 72880882) is 1-[(4-ethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-methylcinnolin-5-yl)urea.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-methylcinnolin-5-yl)urea?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-methylcinnolin-5-yl)urea is CCc1ccc(CN(CCOC)C(=O)Nc2cccc3nnc(C)cc23)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-methylcinnolin-5-yl)urea?
The InChIKey is BVQUPFCDHNSONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-17-8-10-18(11-9-17)15-26(12-13-28-3)22(27)23-20-6-5-7-21-19(20)14-16(2)24-25-21/h5-11,14H,4,12-13,15H2,1-3H3,(H,23,27).
What are the key properties of 1-[(4-ethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-methylcinnolin-5-yl)urea?
1-[(4-ethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-methylcinnolin-5-yl)urea has a molecular weight of 378.48 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-methylcinnolin-5-yl)urea is sourced from PubChem (CID 72880882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).