N-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide

C19H25N3O3 — CID 58417460

IUPACN-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(c2ccc(C(=O)NO)cc2)C(C)(C)C)c(C)[nH]1
InChIInChI=1S/C19H25N3O3/c1-11-10-15(12(2)20-11)18(24)21-16(19(3,4)5)13-6-8-14(9-7-13)17(23)22-25/h6-10,16,20,25H,1-5H3,(H,21,24)(H,22,23)
InChIKeyYCMBZSFVNSHLCM-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.27
Rot. Bonds4

About N-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide

N-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 58417460) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID58417460
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(c2ccc(C(=O)NO)cc2)C(C)(C)C)c(C)[nH]1
InChIInChI=1S/C19H25N3O3/c1-11-10-15(12(2)20-11)18(24)21-16(19(3,4)5)13-6-8-14(9-7-13)17(23)22-25/h6-10,16,20,25H,1-5H3,(H,21,24)(H,22,23)
InChIKeyYCMBZSFVNSHLCM-UHFFFAOYSA-N
XLogP3.27
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide
CID 110766101
N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide
CID 58417381
4-[1-(cyclohexanecarbonylamino)-2,2-dimethylpropyl]-N-hydroxybenzamide
CID 58417470
N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766106
4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide
CID 123303772
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide
CID 51940796
2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide
CID 53374350
5-bromo-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]thiophene-3-carboxamide
CID 63524941
5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide
CID 58418268
N-hydroxy-2-methyl-1H-indole-5-carboxamide
CID 129309500
N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230614

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide (CID 58417460) is N-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide is Cc1cc(C(=O)NC(c2ccc(C(=O)NO)cc2)C(C)(C)C)c(C)[nH]1.
What is the InChIKey of N-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is YCMBZSFVNSHLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-11-10-15(12(2)20-11)18(24)21-16(19(3,4)5)13-6-8-14(9-7-13)17(23)22-25/h6-10,16,20,25H,1-5H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide?
N-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 58417460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).