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

C24H23N3O3 — CID 46384342

IUPAC1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)c1
InChIInChI=1S/C24H23N3O3/c1-16-6-8-18(9-7-16)23(28)27-13-12-17-10-11-20(15-22(17)27)26-24(29)25-19-4-3-5-21(14-19)30-2/h3-11,14-15H,12-13H2,1-2H3,(H2,25,26,29)
InChIKeyJQBMZSDGZXZSPJ-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.85
Rot. Bonds4

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

1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea (PubChem CID 46384342) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
PubChem CID46384342
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)c1
InChIInChI=1S/C24H23N3O3/c1-16-6-8-18(9-7-16)23(28)27-13-12-17-10-11-20(15-22(17)27)26-24(29)25-19-4-3-5-21(14-19)30-2/h3-11,14-15H,12-13H2,1-2H3,(H2,25,26,29)
InChIKeyJQBMZSDGZXZSPJ-UHFFFAOYSA-N
XLogP4.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(3-methoxyphenyl)urea
CID 30372497
1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384350
1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
CID 53099631
1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea
CID 46384359
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384382
1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384390
1-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-2,3-dihydroindole-6-carboxamide
CID 53160317
1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099728
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(2-methoxyphenyl)urea
CID 30372555
N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide
CID 100788776
ethyl (3S)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]carbamoylamino]-3-phenylpropanoate
CID 92882087

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea (CID 46384342) is 1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea is COc1cccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea?
The InChIKey is JQBMZSDGZXZSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-16-6-8-18(9-7-16)23(28)27-13-12-17-10-11-20(15-22(17)27)26-24(29)25-19-4-3-5-21(14-19)30-2/h3-11,14-15H,12-13H2,1-2H3,(H2,25,26,29).
What are the key properties of 1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea?
1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea has a molecular weight of 401.47 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea is sourced from PubChem (CID 46384342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).