1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea

C19H23N3O3 — CID 19433107

IUPAC1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea
SMILESCOc1cccc(CN2CCc3cc(C(C)N(O)C(N)=O)ccc32)c1
InChIInChI=1S/C19H23N3O3/c1-13(22(24)19(20)23)15-6-7-18-16(11-15)8-9-21(18)12-14-4-3-5-17(10-14)25-2/h3-7,10-11,13,24H,8-9,12H2,1-2H3,(H2,20,23)
InChIKeyNSSGKTUATYDVSC-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.09
Rot. Bonds5

About 1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea

1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea (PubChem CID 19433107) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea
PubChem CID19433107
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea
SMILESCOc1cccc(CN2CCc3cc(C(C)N(O)C(N)=O)ccc32)c1
InChIInChI=1S/C19H23N3O3/c1-13(22(24)19(20)23)15-6-7-18-16(11-15)8-9-21(18)12-14-4-3-5-17(10-14)25-2/h3-7,10-11,13,24H,8-9,12H2,1-2H3,(H2,20,23)
InChIKeyNSSGKTUATYDVSC-UHFFFAOYSA-N
XLogP3.09
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea (CID 19433107) is 1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea is COc1cccc(CN2CCc3cc(C(C)N(O)C(N)=O)ccc32)c1.
What is the InChIKey of 1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea?
The InChIKey is NSSGKTUATYDVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(22(24)19(20)23)15-6-7-18-16(11-15)8-9-21(18)12-14-4-3-5-17(10-14)25-2/h3-7,10-11,13,24H,8-9,12H2,1-2H3,(H2,20,23).
What are the key properties of 1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea?
1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea has a molecular weight of 341.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea is sourced from PubChem (CID 19433107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).