1-[2-(hydroxyamino)-2-oxoethyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindene-1-carboxamide

C23H27N3O5 — CID 22946164

IUPAC1-[2-(hydroxyamino)-2-oxoethyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindene-1-carboxamide
SMILESCNC(=O)C(Cc1ccc(OC)cc1)NC(=O)C1(CC(=O)NO)CCc2ccccc21
InChIInChI=1S/C23H27N3O5/c1-24-21(28)19(13-15-7-9-17(31-2)10-8-15)25-22(29)23(14-20(27)26-30)12-11-16-5-3-4-6-18(16)23/h3-10,19,30H,11-14H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyNGPYAKUTLOLROR-UHFFFAOYSA-N
MW425.49 g/mol
LogP1.25
Rot. Bonds8

About 1-[2-(hydroxyamino)-2-oxoethyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindene-1-carboxamide

1-[2-(hydroxyamino)-2-oxoethyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindene-1-carboxamide (PubChem CID 22946164) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-[2-(hydroxyamino)-2-oxoethyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name1-[2-(hydroxyamino)-2-oxoethyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindene-1-carboxamide
PubChem CID22946164
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name1-[2-(hydroxyamino)-2-oxoethyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindene-1-carboxamide
SMILESCNC(=O)C(Cc1ccc(OC)cc1)NC(=O)C1(CC(=O)NO)CCc2ccccc21
InChIInChI=1S/C23H27N3O5/c1-24-21(28)19(13-15-7-9-17(31-2)10-8-15)25-22(29)23(14-20(27)26-30)12-11-16-5-3-4-6-18(16)23/h3-10,19,30H,11-14H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyNGPYAKUTLOLROR-UHFFFAOYSA-N
XLogP1.25
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Related Compounds

(2S)-3-(4-methoxyphenyl)-2-[(1-phenylcyclopentanecarbonyl)amino]propanoic acid
CID 54228911
(2S,3S)-N',2-dihydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-methyl-2-propan-2-ylbutanediamide
CID 59873545
(2S,3S)-N',2-dihydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-methyl-2-(2-methylpropyl)butanediamide
CID 59873538
5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 59978131
(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxy-N-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]butanediamide
CID 57177409
methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate
CID 10889521
methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate
CID 10955237
N-[3-(4-methoxyphenyl)-1-[[1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-4-oxoazetidine-2-carboxamide
CID 118699296
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95983104
4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[1-[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclohexyl]amino]butanoic acid;2,2,2-trifluoroacetic acid
CID 70085010
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 139663590
[(1R)-1-[[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methylbutyl]phosphonic acid
CID 10390023

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxyamino)-2-oxoethyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 1-[2-(hydroxyamino)-2-oxoethyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindene-1-carboxamide (CID 22946164) is 1-[2-(hydroxyamino)-2-oxoethyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 1-[2-(hydroxyamino)-2-oxoethyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 1-[2-(hydroxyamino)-2-oxoethyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindene-1-carboxamide is CNC(=O)C(Cc1ccc(OC)cc1)NC(=O)C1(CC(=O)NO)CCc2ccccc21.
What is the InChIKey of 1-[2-(hydroxyamino)-2-oxoethyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindene-1-carboxamide?
The InChIKey is NGPYAKUTLOLROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-24-21(28)19(13-15-7-9-17(31-2)10-8-15)25-22(29)23(14-20(27)26-30)12-11-16-5-3-4-6-18(16)23/h3-10,19,30H,11-14H2,1-2H3,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of 1-[2-(hydroxyamino)-2-oxoethyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindene-1-carboxamide?
1-[2-(hydroxyamino)-2-oxoethyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindene-1-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 1.25, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxyamino)-2-oxoethyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 22946164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).