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

C25H25N3O4 — CID 53099631

IUPAC1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
SMILESCOc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cccc(OC)c4)cc32)cc1
InChIInChI=1S/C25H25N3O4/c1-31-21-10-8-19(9-11-21)24(29)28-13-12-18-7-6-17(14-23(18)28)16-26-25(30)27-20-4-3-5-22(15-20)32-2/h3-11,14-15H,12-13,16H2,1-2H3,(H2,26,27,30)
InChIKeyHUXZGDPEVRULSV-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.23
Rot. Bonds6

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

1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea (PubChem CID 53099631) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
PubChem CID53099631
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
SMILESCOc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cccc(OC)c4)cc32)cc1
InChIInChI=1S/C25H25N3O4/c1-31-21-10-8-19(9-11-21)24(29)28-13-12-18-7-6-17(14-23(18)28)16-26-25(30)27-20-4-3-5-22(15-20)32-2/h3-11,14-15H,12-13,16H2,1-2H3,(H2,26,27,30)
InChIKeyHUXZGDPEVRULSV-UHFFFAOYSA-N
XLogP4.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099728
1-(2,4-dimethoxyphenyl)-3-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099677
1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384342
N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]propanamide
CID 53099278
3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide
CID 53099251
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea
CID 53099512
1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 53089967
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 53099544
ethyl (2S)-2-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]propanoate
CID 95081927
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
CID 53043814
2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide
CID 53099252
2-cyclopentyl-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide
CID 53099268

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea (CID 53099631) is 1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea is COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cccc(OC)c4)cc32)cc1.
What is the InChIKey of 1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea?
The InChIKey is HUXZGDPEVRULSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-31-21-10-8-19(9-11-21)24(29)28-13-12-18-7-6-17(14-23(18)28)16-26-25(30)27-20-4-3-5-22(15-20)32-2/h3-11,14-15H,12-13,16H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea?
1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea has a molecular weight of 431.49 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 53099631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).