1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea

C21H25N3O2 — CID 53099492

IUPAC1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea
SMILESCc1ccc(C(=O)N2CCc3ccc(CNC(=O)NC(C)C)cc32)cc1
InChIInChI=1S/C21H25N3O2/c1-14(2)23-21(26)22-13-16-6-9-17-10-11-24(19(17)12-16)20(25)18-7-4-15(3)5-8-18/h4-9,12,14H,10-11,13H2,1-3H3,(H2,22,23,26)
InChIKeyGGESEIQJOXPEPU-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.41
Rot. Bonds4

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

1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea (PubChem CID 53099492) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea
PubChem CID53099492
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea
SMILESCc1ccc(C(=O)N2CCc3ccc(CNC(=O)NC(C)C)cc32)cc1
InChIInChI=1S/C21H25N3O2/c1-14(2)23-21(26)22-13-16-6-9-17-10-11-24(19(17)12-16)20(25)18-7-4-15(3)5-8-18/h4-9,12,14H,10-11,13H2,1-3H3,(H2,22,23,26)
InChIKeyGGESEIQJOXPEPU-UHFFFAOYSA-N
XLogP3.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.41
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-(2-phenylethyl)urea
CID 53099481
1-(2-chlorophenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099435
ethyl (2S)-2-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]propanoate
CID 95081927
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
N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 53102636
2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide
CID 53093637
N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]propanamide
CID 53099278
2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102632
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
CID 53043814
1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea
CID 53090025
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-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea (CID 53099492) is 1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea is Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)NC(C)C)cc32)cc1.
What is the InChIKey of 1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea?
The InChIKey is GGESEIQJOXPEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14(2)23-21(26)22-13-16-6-9-17-10-11-24(19(17)12-16)20(25)18-7-4-15(3)5-8-18/h4-9,12,14H,10-11,13H2,1-3H3,(H2,22,23,26).
What are the key properties of 1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea?
1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea has a molecular weight of 351.45 g/mol, XLogP of 3.41, 4 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-propan-2-ylurea is sourced from PubChem (CID 53099492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).