1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea

C19H23N3O4 — CID 170896049

IUPAC1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2ccc(C(=O)CN(C)C)cc2)c1
InChIInChI=1S/C19H23N3O4/c1-22(2)12-17(23)13-5-7-14(8-6-13)20-19(24)21-16-11-15(25-3)9-10-18(16)26-4/h5-11H,12H2,1-4H3,(H2,20,21,24)
InChIKeyWRULFPIDSRWOAA-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.09
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea

1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea (PubChem CID 170896049) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea
PubChem CID170896049
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2ccc(C(=O)CN(C)C)cc2)c1
InChIInChI=1S/C19H23N3O4/c1-22(2)12-17(23)13-5-7-14(8-6-13)20-19(24)21-16-11-15(25-3)9-10-18(16)26-4/h5-11H,12H2,1-4H3,(H2,20,21,24)
InChIKeyWRULFPIDSRWOAA-UHFFFAOYSA-N
XLogP3.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea
CID 170860315
dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate
CID 1298005
1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethoxyphenyl)urea
CID 17378931
4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840532
1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17174383
1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea
CID 2956360
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113160520
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea
CID 35521100

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea (CID 170896049) is 1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea is COc1ccc(OC)c(NC(=O)Nc2ccc(C(=O)CN(C)C)cc2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea?
The InChIKey is WRULFPIDSRWOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-22(2)12-17(23)13-5-7-14(8-6-13)20-19(24)21-16-11-15(25-3)9-10-18(16)26-4/h5-11H,12H2,1-4H3,(H2,20,21,24).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea?
1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea has a molecular weight of 357.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea is sourced from PubChem (CID 170896049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).