N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide

C21H23N3O3 — CID 58417663

IUPACN-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc2ccccc2n1C)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C21H23N3O3/c1-13(2)19(14-8-10-15(11-9-14)20(25)23-27)22-21(26)18-12-16-6-4-5-7-17(16)24(18)3/h4-13,19,27H,1-3H3,(H,22,26)(H,23,25)/t19-/m1/s1
InChIKeyYHWMRHOLJFHYCD-LJQANCHMSA-N
MW365.43 g/mol
LogP3.42
Rot. Bonds5

About N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide

N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide (PubChem CID 58417663) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide
PubChem CID58417663
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc2ccccc2n1C)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C21H23N3O3/c1-13(2)19(14-8-10-15(11-9-14)20(25)23-27)22-21(26)18-12-16-6-4-5-7-17(16)24(18)3/h4-13,19,27H,1-3H3,(H,22,26)(H,23,25)/t19-/m1/s1
InChIKeyYHWMRHOLJFHYCD-LJQANCHMSA-N
XLogP3.42
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.42
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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Related Compounds

N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide
CID 58417381
N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide
CID 58417437
1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide
CID 18712124
3-methyl-2-[(1-methylindole-2-carbonyl)amino]butanoic acid
CID 118985938
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide
CID 75903083
methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate
CID 56737895
N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide
CID 76779917
3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid
CID 167977206
N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide
CID 87384322
N'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide
CID 55876077
N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide
CID 10782216
N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 58417169

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide (CID 58417663) is N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide is CC(C)[C@@H](NC(=O)c1cc2ccccc2n1C)c1ccc(C(=O)NO)cc1.
What is the InChIKey of N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide?
The InChIKey is YHWMRHOLJFHYCD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13(2)19(14-8-10-15(11-9-14)20(25)23-27)22-21(26)18-12-16-6-4-5-7-17(16)24(18)3/h4-13,19,27H,1-3H3,(H,22,26)(H,23,25)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide?
N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 58417663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).