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

C23H23N3O3 — CID 151395659

IUPAC1-hydroxy-3-methyl-1-[1-[(3-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]urea
SMILESCNC(=O)N(O)c1ccc2c(c1)CCN2Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H23N3O3/c1-24-23(27)26(28)19-10-11-22-18(15-19)12-13-25(22)16-17-6-5-9-21(14-17)29-20-7-3-2-4-8-20/h2-11,14-15,28H,12-13,16H2,1H3,(H,24,27)
InChIKeyOVJWWRNKIUNFIN-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.58
Rot. Bonds5

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

1-hydroxy-3-methyl-1-[1-[(3-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]urea (PubChem CID 151395659) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-1-[1-[(3-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]urea.

Molecular Properties

Compound Name1-hydroxy-3-methyl-1-[1-[(3-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]urea
PubChem CID151395659
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-hydroxy-3-methyl-1-[1-[(3-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]urea
SMILESCNC(=O)N(O)c1ccc2c(c1)CCN2Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H23N3O3/c1-24-23(27)26(28)19-10-11-22-18(15-19)12-13-25(22)16-17-6-5-9-21(14-17)29-20-7-3-2-4-8-20/h2-11,14-15,28H,12-13,16H2,1H3,(H,24,27)
InChIKeyOVJWWRNKIUNFIN-UHFFFAOYSA-N
XLogP4.58
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea
CID 151533413
1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea
CID 19433107
3-fluoro-4-[[1-[(4-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]oxy]benzoic acid
CID 10671452
1-hydroxy-1-[4-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]butan-2-yl]urea
CID 19433112
(1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate
CID 46865060
1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone
CID 58460267
(1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate
CID 86659867
1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661581
(1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate
CID 46866348
(1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate
CID 86659871
3,3-dimethyl-N-[1-[(6-phenoxy-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]butanamide
CID 11464160
(3-phenoxyphenyl)methyl N-methylcarbamate
CID 23548707

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-1-[1-[(3-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]urea?
The IUPAC name of 1-hydroxy-3-methyl-1-[1-[(3-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]urea (CID 151395659) is 1-hydroxy-3-methyl-1-[1-[(3-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]urea.
What is the SMILES notation for 1-hydroxy-3-methyl-1-[1-[(3-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]urea?
The canonical SMILES for 1-hydroxy-3-methyl-1-[1-[(3-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]urea is CNC(=O)N(O)c1ccc2c(c1)CCN2Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-hydroxy-3-methyl-1-[1-[(3-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]urea?
The InChIKey is OVJWWRNKIUNFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-24-23(27)26(28)19-10-11-22-18(15-19)12-13-25(22)16-17-6-5-9-21(14-17)29-20-7-3-2-4-8-20/h2-11,14-15,28H,12-13,16H2,1H3,(H,24,27).
What are the key properties of 1-hydroxy-3-methyl-1-[1-[(3-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]urea?
1-hydroxy-3-methyl-1-[1-[(3-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]urea has a molecular weight of 389.46 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-1-[1-[(3-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]urea is sourced from PubChem (CID 151395659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).