3-(2,5-dihydroxy-3-propylpyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide

C17H30N2O4 — CID 123398823

IUPAC3-(2,5-dihydroxy-3-propylpyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide
SMILESCCCc1cc(O)n(CCC(=O)NCCOCCC(C)C)c1O
InChIInChI=1S/C17H30N2O4/c1-4-5-14-12-16(21)19(17(14)22)9-6-15(20)18-8-11-23-10-7-13(2)3/h12-13,21-22H,4-11H2,1-3H3,(H,18,20)
InChIKeyAWOHPQXEAMQKJO-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.42
Rot. Bonds11

About 3-(2,5-dihydroxy-3-propylpyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide

3-(2,5-dihydroxy-3-propylpyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide (PubChem CID 123398823) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(2,5-dihydroxy-3-propylpyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dihydroxy-3-propylpyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide
PubChem CID123398823
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name3-(2,5-dihydroxy-3-propylpyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide
SMILESCCCc1cc(O)n(CCC(=O)NCCOCCC(C)C)c1O
InChIInChI=1S/C17H30N2O4/c1-4-5-14-12-16(21)19(17(14)22)9-6-15(20)18-8-11-23-10-7-13(2)3/h12-13,21-22H,4-11H2,1-3H3,(H,18,20)
InChIKeyAWOHPQXEAMQKJO-UHFFFAOYSA-N
XLogP2.42
TPSA83.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Aminopropyl)-1-hexylpyrrole-2,5-diol
CID 53903626
N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylpentoxy)-2-methylpropanamide
CID 90822953
5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-N-(2-ethyl-3-methylbut-2-enyl)-3,3,5-trimethylhexanamide
CID 90984788
N-[2-[acetyl(methyl)amino]ethyl]-4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanamide
CID 91231638
2-[Methyl(2-methylpropanoyl)amino]ethyl 4-[3-(3-ethylhexan-3-yl)-2,5-dihydroxypyrrol-1-yl]butanoate
CID 91389928
N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide
CID 91411422
N-[2-[2-[2-[4-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide
CID 91588544
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-methyl-4-(3-methyl-6-oxoheptan-3-yl)oxybutan-2-yl]oxyethyl]propanamide
CID 123157989
3-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-N-methylidenepropanamide
CID 123235448
13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide
CID 123250283
3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 123313904
N-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide
CID 123384805

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxy-3-propylpyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide?
The IUPAC name of 3-(2,5-dihydroxy-3-propylpyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide (CID 123398823) is 3-(2,5-dihydroxy-3-propylpyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dihydroxy-3-propylpyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dihydroxy-3-propylpyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide is CCCc1cc(O)n(CCC(=O)NCCOCCC(C)C)c1O.
What is the InChIKey of 3-(2,5-dihydroxy-3-propylpyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide?
The InChIKey is AWOHPQXEAMQKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-4-5-14-12-16(21)19(17(14)22)9-6-15(20)18-8-11-23-10-7-13(2)3/h12-13,21-22H,4-11H2,1-3H3,(H,18,20).
What are the key properties of 3-(2,5-dihydroxy-3-propylpyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide?
3-(2,5-dihydroxy-3-propylpyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 2.42, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxy-3-propylpyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide is sourced from PubChem (CID 123398823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).