1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea

C25H25N3O4 — CID 46383542

IUPAC1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C(=O)N2CCc3ccccc32)c2ccccc2)cc1OC
InChIInChI=1S/C25H25N3O4/c1-31-21-13-12-19(16-22(21)32-2)26-25(30)27-23(18-9-4-3-5-10-18)24(29)28-15-14-17-8-6-7-11-20(17)28/h3-13,16,23H,14-15H2,1-2H3,(H2,26,27,30)
InChIKeyACLVGZFQXHYDOE-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.16
Rot. Bonds6

About 1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea

1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea (PubChem CID 46383542) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea
PubChem CID46383542
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C(=O)N2CCc3ccccc32)c2ccccc2)cc1OC
InChIInChI=1S/C25H25N3O4/c1-31-21-13-12-19(16-22(21)32-2)26-25(30)27-23(18-9-4-3-5-10-18)24(29)28-15-14-17-8-6-7-11-20(17)28/h3-13,16,23H,14-15H2,1-2H3,(H2,26,27,30)
InChIKeyACLVGZFQXHYDOE-UHFFFAOYSA-N
XLogP4.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethylphenyl)urea
CID 46383540
1-(5-chloro-2-methoxyphenyl)-3-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
CID 92881593
methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate
CID 46383578
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 53125923
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 95091970
ethyl 2-[4-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate
CID 92881627
1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea
CID 92881589
1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea
CID 92881634
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide
CID 53125902
1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
CID 92881630
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea
CID 92881462
1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea
CID 46383367

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea (CID 46383542) is 1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)NC(C(=O)N2CCc3ccccc32)c2ccccc2)cc1OC.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea?
The InChIKey is ACLVGZFQXHYDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-31-21-13-12-19(16-22(21)32-2)26-25(30)27-23(18-9-4-3-5-10-18)24(29)28-15-14-17-8-6-7-11-20(17)28/h3-13,16,23H,14-15H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea?
1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea has a molecular weight of 431.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea is sourced from PubChem (CID 46383542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).