4-(2,5-dihydroxypyrrol-1-yl)oxy-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]butanamide

C17H30N2O5 — CID 123222257

IUPAC4-(2,5-dihydroxypyrrol-1-yl)oxy-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]butanamide
SMILESCC(C)(CCOC(C)(C)C)NC(=O)CCCOn1c(O)ccc1O
InChIInChI=1S/C17H30N2O5/c1-16(2,3)23-12-10-17(4,5)18-13(20)7-6-11-24-19-14(21)8-9-15(19)22/h8-9,21-22H,6-7,10-12H2,1-5H3,(H,18,20)
InChIKeyTXYFEUSGKIUCOE-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.21
Rot. Bonds9

About 4-(2,5-dihydroxypyrrol-1-yl)oxy-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]butanamide

4-(2,5-dihydroxypyrrol-1-yl)oxy-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]butanamide (PubChem CID 123222257) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-(2,5-dihydroxypyrrol-1-yl)oxy-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]butanamide.

Molecular Properties

Compound Name4-(2,5-dihydroxypyrrol-1-yl)oxy-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]butanamide
PubChem CID123222257
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC Name4-(2,5-dihydroxypyrrol-1-yl)oxy-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]butanamide
SMILESCC(C)(CCOC(C)(C)C)NC(=O)CCCOn1c(O)ccc1O
InChIInChI=1S/C17H30N2O5/c1-16(2,3)23-12-10-17(4,5)18-13(20)7-6-11-24-19-14(21)8-9-15(19)22/h8-9,21-22H,6-7,10-12H2,1-5H3,(H,18,20)
InChIKeyTXYFEUSGKIUCOE-UHFFFAOYSA-N
XLogP2.21
TPSA92.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 54480334
1-O-tert-butyl 4-O-(2,5-dihydroxypyrrol-1-yl) butanedioate
CID 54537662
(2,5-Dihydroxypyrrol-1-yl) 3-(2,4,4-trimethylhexan-2-ylcarbamoyloxymethyl)-4-(2,4,4-trimethylpentan-2-ylcarbamoyloxy)butanoate
CID 90691938
(2,5-Dihydroxypyrrol-1-yl) 4-(2,4,4-trimethylpentan-2-ylcarbamoyloxy)-3-(2,4,4-trimethylpentan-2-ylcarbamoyloxymethyl)butanoate
CID 90892327
(2,5-Dihydroxypyrrol-1-yl) 4-methyl-4-(3-methylbutoxy)pentanoate
CID 90930859
(2,5-Dihydroxypyrrol-1-yl) 2-(tert-butylcarbamoyloxy)acetate
CID 90944100
(2,5-Dihydroxypyrrol-1-yl) 4-(aminomethoxy)-2-methylbutanoate
CID 90970176
Tert-butyl 2-[[4-(2,5-dihydroxypyrrol-1-yl)oxy-4-oxobutanoyl]amino]-3-methylbutanoate
CID 91156332
tert-butyl (2S)-2-[[4-(2,5-dihydroxypyrrol-1-yl)oxy-4-oxobutanoyl]amino]-3-methylbutanoate
CID 91237699
(2,5-Dihydroxypyrrol-1-yl) 3-(tert-butylcarbamoyloxymethyl)-4-(methylcarbamoyloxy)butanoate
CID 91296529
(2,5-Dihydroxypyrrol-1-yl) 3-(tert-butylcarbamoyloxy)propanoate
CID 91304172
(2,5-Dihydroxypyrrol-1-yl) 3-methyl-4-(methylcarbamoyloxy)butanoate
CID 91312412

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydroxypyrrol-1-yl)oxy-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]butanamide?
The IUPAC name of 4-(2,5-dihydroxypyrrol-1-yl)oxy-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]butanamide (CID 123222257) is 4-(2,5-dihydroxypyrrol-1-yl)oxy-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]butanamide.
What is the SMILES notation for 4-(2,5-dihydroxypyrrol-1-yl)oxy-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]butanamide?
The canonical SMILES for 4-(2,5-dihydroxypyrrol-1-yl)oxy-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]butanamide is CC(C)(CCOC(C)(C)C)NC(=O)CCCOn1c(O)ccc1O.
What is the InChIKey of 4-(2,5-dihydroxypyrrol-1-yl)oxy-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]butanamide?
The InChIKey is TXYFEUSGKIUCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-16(2,3)23-12-10-17(4,5)18-13(20)7-6-11-24-19-14(21)8-9-15(19)22/h8-9,21-22H,6-7,10-12H2,1-5H3,(H,18,20).
What are the key properties of 4-(2,5-dihydroxypyrrol-1-yl)oxy-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]butanamide?
4-(2,5-dihydroxypyrrol-1-yl)oxy-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]butanamide has a molecular weight of 342.44 g/mol, XLogP of 2.21, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydroxypyrrol-1-yl)oxy-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]butanamide is sourced from PubChem (CID 123222257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).