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

C25H25N3O3 — CID 53099578

IUPAC1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)C(C)C3)cc1
InChIInChI=1S/C25H25N3O3/c1-17-14-20-9-8-18(15-23(20)28(17)24(29)19-6-4-3-5-7-19)16-26-25(30)27-21-10-12-22(31-2)13-11-21/h3-13,15,17H,14,16H2,1-2H3,(H2,26,27,30)
InChIKeyFXMDRCMSYHDBFA-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.61
Rot. Bonds5

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

1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea (PubChem CID 53099578) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea
PubChem CID53099578
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)C(C)C3)cc1
InChIInChI=1S/C25H25N3O3/c1-17-14-20-9-8-18(15-23(20)28(17)24(29)19-6-4-3-5-7-19)16-26-25(30)27-21-10-12-22(31-2)13-11-21/h3-13,15,17H,14,16H2,1-2H3,(H2,26,27,30)
InChIKeyFXMDRCMSYHDBFA-UHFFFAOYSA-N
XLogP4.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea
CID 53099574
1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea
CID 95081780
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 95081567
1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2,5-dimethoxyphenyl)urea
CID 95081799
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea
CID 53099569
1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea
CID 95081769
N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 53099241
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95081569
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3-chlorophenyl)urea
CID 53099560
1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(3-fluoro-4-methylphenyl)urea
CID 95081855
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea
CID 53099625
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide
CID 53099403

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea (CID 53099578) is 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)C(C)C3)cc1.
What is the InChIKey of 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea?
The InChIKey is FXMDRCMSYHDBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-14-20-9-8-18(15-23(20)28(17)24(29)19-6-4-3-5-7-19)16-26-25(30)27-21-10-12-22(31-2)13-11-21/h3-13,15,17H,14,16H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea?
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea has a molecular weight of 415.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 53099578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).