methyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate

C19H23N3O5 — CID 140530525

IUPACmethyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)n(CCCCCC(=O)NO)c1C(N)=O
InChIInChI=1S/C19H23N3O5/c1-27-19(25)14-12-15(13-8-4-2-5-9-13)22(17(14)18(20)24)11-7-3-6-10-16(23)21-26/h2,4-5,8-9,12,26H,3,6-7,10-11H2,1H3,(H2,20,24)(H,21,23)
InChIKeyHZUGBRRJQROSBR-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.11
Rot. Bonds9

About methyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate

methyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate (PubChem CID 140530525) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate
PubChem CID140530525
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Namemethyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)n(CCCCCC(=O)NO)c1C(N)=O
InChIInChI=1S/C19H23N3O5/c1-27-19(25)14-12-15(13-8-4-2-5-9-13)22(17(14)18(20)24)11-7-3-6-10-16(23)21-26/h2,4-5,8-9,12,26H,3,6-7,10-11H2,1H3,(H2,20,24)(H,21,23)
InChIKeyHZUGBRRJQROSBR-UHFFFAOYSA-N
XLogP2.11
TPSA123.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide
CID 155384826
1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
CID 87482835
methyl 1-(2,2-dimethoxyethyl)-2-(2-methoxy-2-oxoethyl)-5-phenylpyrrole-3-carboxylate
CID 132821656
2-[7-(hydroxyamino)-7-oxoheptyl]benzamide
CID 87127603
ethyl 2-methyl-1-[4-[(4-methylcyclohexyl)amino]-4-oxobutyl]-5-phenylpyrrole-3-carboxylate
CID 20969594
1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3752316
N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 71520627
ethyl 1-butyl-5-phenyl-2-propylpyrrole-3-carboxylate
CID 102196268
ethyl 1-(2,2-dimethoxyethyl)-2-methyl-5-phenylpyrrole-3-carboxylate
CID 132821654
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
N-hydroxy-6-phenylhexanamide;thiohydroxylamine
CID 142086803
methyl 3-phenylpyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 102287158

Frequently Asked Questions

What is the IUPAC name of methyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate?
The IUPAC name of methyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate (CID 140530525) is methyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate?
The canonical SMILES for methyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate is COC(=O)c1cc(-c2ccccc2)n(CCCCCC(=O)NO)c1C(N)=O.
What is the InChIKey of methyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate?
The InChIKey is HZUGBRRJQROSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-27-19(25)14-12-15(13-8-4-2-5-9-13)22(17(14)18(20)24)11-7-3-6-10-16(23)21-26/h2,4-5,8-9,12,26H,3,6-7,10-11H2,1H3,(H2,20,24)(H,21,23).
What are the key properties of methyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate?
methyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 2.11, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 140530525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).