(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide

C22H26N4O4 — CID 89413306

IUPAC(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide
SMILESCNC(=O)[C@@](C)(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(c2)CCN3C)cc1
InChIInChI=1S/C22H26N4O4/c1-22(20(28)23-2,21(29)24-30)26(4)19(27)15-7-5-14(6-8-15)16-9-10-18-17(13-16)11-12-25(18)3/h5-10,13,30H,11-12H2,1-4H3,(H,23,28)(H,24,29)/t22-/m0/s1
InChIKeyHKVPLLVTEFHKRF-QFIPXVFZSA-N
MW410.47 g/mol
LogP1.43
Rot. Bonds5

About (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide

(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide (PubChem CID 89413306) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide
PubChem CID89413306
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide
SMILESCNC(=O)[C@@](C)(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(c2)CCN3C)cc1
InChIInChI=1S/C22H26N4O4/c1-22(20(28)23-2,21(29)24-30)26(4)19(27)15-7-5-14(6-8-15)16-9-10-18-17(13-16)11-12-25(18)3/h5-10,13,30H,11-12H2,1-4H3,(H,23,28)(H,24,29)/t22-/m0/s1
InChIKeyHKVPLLVTEFHKRF-QFIPXVFZSA-N
XLogP1.43
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide?
The IUPAC name of (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide (CID 89413306) is (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide.
What is the SMILES notation for (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide?
The canonical SMILES for (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide is CNC(=O)[C@@](C)(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(c2)CCN3C)cc1.
What is the InChIKey of (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide?
The InChIKey is HKVPLLVTEFHKRF-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-22(20(28)23-2,21(29)24-30)26(4)19(27)15-7-5-14(6-8-15)16-9-10-18-17(13-16)11-12-25(18)3/h5-10,13,30H,11-12H2,1-4H3,(H,23,28)(H,24,29)/t22-/m0/s1.
What are the key properties of (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide?
(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide has a molecular weight of 410.47 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide is sourced from PubChem (CID 89413306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).