1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea

C25H25N3O3 — CID 53099728

IUPAC1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)cc1
InChIInChI=1S/C25H25N3O3/c1-17-4-3-5-20(14-17)24(29)28-13-12-19-7-6-18(15-23(19)28)16-26-25(30)27-21-8-10-22(31-2)11-9-21/h3-11,14-15H,12-13,16H2,1-2H3,(H2,26,27,30)
InChIKeyZVQMCEBNSLPRGK-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.53
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea

1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea (PubChem CID 53099728) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
PubChem CID53099728
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)cc1
InChIInChI=1S/C25H25N3O3/c1-17-4-3-5-20(14-17)24(29)28-13-12-19-7-6-18(15-23(19)28)16-26-25(30)27-21-8-10-22(31-2)11-9-21/h3-11,14-15H,12-13,16H2,1-2H3,(H2,26,27,30)
InChIKeyZVQMCEBNSLPRGK-UHFFFAOYSA-N
XLogP4.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea with MolForge

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Related Compounds

1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099712
1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
CID 53099631
1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099751
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea
CID 53099512
1-(2-ethylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099740
ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate
CID 53099745
methyl 4-chloro-2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]benzoate
CID 53099746
1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099726
1-(2,5-difluorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099754
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
CID 53043814
1-(2,4-dimethoxyphenyl)-3-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099677
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 60614335

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea (CID 53099728) is 1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea is COc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?
The InChIKey is ZVQMCEBNSLPRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-4-3-5-20(14-17)24(29)28-13-12-19-7-6-18(15-23(19)28)16-26-25(30)27-21-8-10-22(31-2)11-9-21/h3-11,14-15H,12-13,16H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?
1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea has a molecular weight of 415.49 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea is sourced from PubChem (CID 53099728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).