N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide

C22H25N3O3 — CID 58417381

IUPACN-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N[C@H](c2ccc(C(=O)NO)cc2)C(C)(C)C)cc2ccccc21
InChIInChI=1S/C22H25N3O3/c1-22(2,3)19(14-9-11-15(12-10-14)20(26)24-28)23-21(27)18-13-16-7-5-6-8-17(16)25(18)4/h5-13,19,28H,1-4H3,(H,23,27)(H,24,26)/t19-/m1/s1
InChIKeyFXBWCDHCITZDIA-LJQANCHMSA-N
MW379.46 g/mol
LogP3.81
Rot. Bonds4

About N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide

N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide (PubChem CID 58417381) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide
PubChem CID58417381
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N[C@H](c2ccc(C(=O)NO)cc2)C(C)(C)C)cc2ccccc21
InChIInChI=1S/C22H25N3O3/c1-22(2,3)19(14-9-11-15(12-10-14)20(26)24-28)23-21(27)18-13-16-7-5-6-8-17(16)25(18)4/h5-13,19,28H,1-4H3,(H,23,27)(H,24,26)/t19-/m1/s1
InChIKeyFXBWCDHCITZDIA-LJQANCHMSA-N
XLogP3.81
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.81
H-Bond Donors ≤ 53
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 N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide (CID 58417381) is N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide is Cn1c(C(=O)N[C@H](c2ccc(C(=O)NO)cc2)C(C)(C)C)cc2ccccc21.
What is the InChIKey of N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide?
The InChIKey is FXBWCDHCITZDIA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-22(2,3)19(14-9-11-15(12-10-14)20(26)24-28)23-21(27)18-13-16-7-5-6-8-17(16)25(18)4/h5-13,19,28H,1-4H3,(H,23,27)(H,24,26)/t19-/m1/s1.
What are the key properties of N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide?
N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 58417381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).