1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea

C25H25N3O3 — CID 53099512

IUPAC1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1
InChIInChI=1S/C25H25N3O3/c1-2-31-22-12-10-21(11-13-22)27-25(30)26-17-18-8-9-19-14-15-28(23(19)16-18)24(29)20-6-4-3-5-7-20/h3-13,16H,2,14-15,17H2,1H3,(H2,26,27,30)
InChIKeyPHYNSHPAYIEGHI-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.61
Rot. Bonds6

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

1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea (PubChem CID 53099512) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea
PubChem CID53099512
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1
InChIInChI=1S/C25H25N3O3/c1-2-31-22-12-10-21(11-13-22)27-25(30)26-17-18-8-9-19-14-15-28(23(19)16-18)24(29)20-6-4-3-5-7-20/h3-13,16H,2,14-15,17H2,1H3,(H2,26,27,30)
InChIKeyPHYNSHPAYIEGHI-UHFFFAOYSA-N
XLogP4.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
CID 53043814
1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099728
1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
CID 53099631
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 53099544
1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099712
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-[(4-fluorophenyl)methyl]urea
CID 30372619
ethyl 2-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]benzoate
CID 53099448
1-(2,4-dimethoxyphenyl)-3-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099677
1-(2-ethylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099740
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea
CID 46384438
1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099751

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea (CID 53099512) is 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1.
What is the InChIKey of 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea?
The InChIKey is PHYNSHPAYIEGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-2-31-22-12-10-21(11-13-22)27-25(30)26-17-18-8-9-19-14-15-28(23(19)16-18)24(29)20-6-4-3-5-7-20/h3-13,16H,2,14-15,17H2,1H3,(H2,26,27,30).
What are the key properties of 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea?
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea has a molecular weight of 415.49 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 53099512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).