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

C26H27N3O2 — CID 53099481

IUPAC1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea
SMILESCc1ccc(C(=O)N2CCc3ccc(CNC(=O)NCCc4ccccc4)cc32)cc1
InChIInChI=1S/C26H27N3O2/c1-19-7-10-23(11-8-19)25(30)29-16-14-22-12-9-21(17-24(22)29)18-28-26(31)27-15-13-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3,(H2,27,28,31)
InChIKeyMWVQWIAJVWZKTK-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.24
Rot. Bonds6

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

1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea (PubChem CID 53099481) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea
PubChem CID53099481
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea
SMILESCc1ccc(C(=O)N2CCc3ccc(CNC(=O)NCCc4ccccc4)cc32)cc1
InChIInChI=1S/C26H27N3O2/c1-19-7-10-23(11-8-19)25(30)29-16-14-22-12-9-21(17-24(22)29)18-28-26(31)27-15-13-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3,(H2,27,28,31)
InChIKeyMWVQWIAJVWZKTK-UHFFFAOYSA-N
XLogP4.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea
CID 53099492
1-(2-chlorophenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099435
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
CID 53043814
1-(5-chloro-2-methylphenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099451
ethyl 2-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]benzoate
CID 53099448
4-(2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047845
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 60614335
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 53099544
ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate
CID 53099745
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
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide
CID 53043824

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea (CID 53099481) is 1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea is Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)NCCc4ccccc4)cc32)cc1.
What is the InChIKey of 1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea?
The InChIKey is MWVQWIAJVWZKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19-7-10-23(11-8-19)25(30)29-16-14-22-12-9-21(17-24(22)29)18-28-26(31)27-15-13-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3,(H2,27,28,31).
What are the key properties of 1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea?
1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea has a molecular weight of 413.52 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 53099481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).