1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea

C17H17N3O4 — CID 30375542

IUPAC1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
SMILESCOc1cc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)cc(OC)c1
InChIInChI=1S/C17H17N3O4/c1-23-13-7-12(8-14(9-13)24-2)19-17(22)18-11-3-4-15-10(5-11)6-16(21)20-15/h3-5,7-9H,6H2,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyJUYSMFTWVLKBLI-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.84
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea

1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea (PubChem CID 30375542) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
PubChem CID30375542
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
SMILESCOc1cc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)cc(OC)c1
InChIInChI=1S/C17H17N3O4/c1-23-13-7-12(8-14(9-13)24-2)19-17(22)18-11-3-4-15-10(5-11)6-16(21)20-15/h3-5,7-9H,6H2,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyJUYSMFTWVLKBLI-UHFFFAOYSA-N
XLogP2.84
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375576
1-(2,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113917
1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113952
1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 75523388
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 119281522
2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
CID 115163929
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide;hydrochloride
CID 119281521
N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869362
1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375491
1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea
CID 165032229
(1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97452815
1-(2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea
CID 165032676

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea (CID 30375542) is 1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea is COc1cc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The InChIKey is JUYSMFTWVLKBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-13-7-12(8-14(9-13)24-2)19-17(22)18-11-3-4-15-10(5-11)6-16(21)20-15/h3-5,7-9H,6H2,1-2H3,(H,20,21)(H2,18,19,22).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea has a molecular weight of 327.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea is sourced from PubChem (CID 30375542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).