N-[1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]-2,5-dihydroxypyrrol-3-yl]-N-pentylpropanamide

C22H33N3O5 — CID 90795365

IUPACN-[1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]-2,5-dihydroxypyrrol-3-yl]-N-pentylpropanamide
SMILESCCCCCN(C(=O)CC)c1cc(O)n(CCCC(C)CN2C(=O)C=CC2=O)c1O
InChIInChI=1S/C22H33N3O5/c1-4-6-7-12-23(18(26)5-2)17-14-21(29)24(22(17)30)13-8-9-16(3)15-25-19(27)10-11-20(25)28/h10-11,14,16,29-30H,4-9,12-13,15H2,1-3H3
InChIKeyKGXMPOGBNBCMPH-UHFFFAOYSA-N
MW419.52 g/mol
LogP3.17
Rot. Bonds12

About N-[1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]-2,5-dihydroxypyrrol-3-yl]-N-pentylpropanamide

N-[1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]-2,5-dihydroxypyrrol-3-yl]-N-pentylpropanamide (PubChem CID 90795365) has the molecular formula C22H33N3O5 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-[1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]-2,5-dihydroxypyrrol-3-yl]-N-pentylpropanamide.

Molecular Properties

Compound NameN-[1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]-2,5-dihydroxypyrrol-3-yl]-N-pentylpropanamide
PubChem CID90795365
Molecular FormulaC22H33N3O5
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC NameN-[1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]-2,5-dihydroxypyrrol-3-yl]-N-pentylpropanamide
SMILESCCCCCN(C(=O)CC)c1cc(O)n(CCCC(C)CN2C(=O)C=CC2=O)c1O
InChIInChI=1S/C22H33N3O5/c1-4-6-7-12-23(18(26)5-2)17-14-21(29)24(22(17)30)13-8-9-16(3)15-25-19(27)10-11-20(25)28/h10-11,14,16,29-30H,4-9,12-13,15H2,1-3H3
InChIKeyKGXMPOGBNBCMPH-UHFFFAOYSA-N
XLogP3.17
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-[8-(3,4-diethyl-2-propylcyclohexyl)octyl]-2-methylprop-2-enamide
CID 90698509
N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide
CID 90757996
N-cyclohexyl-N-[1-[[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]methyl]-2,5-dihydroxypyrrol-3-yl]-2-methylpropanamide
CID 91096910
N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2-methyl-N'-propylbutanediamide
CID 91211338
N-[6-[acetyl-(2,5-dihydroxy-1-propylpyrrol-3-yl)amino]-3,5,5-trimethylhexyl]-N-(2,5-dihydroxy-1-propylpyrrol-3-yl)acetamide
CID 91339239
N-[8-(2-butyl-4-ethyl-3-propylcyclohexyl)octyl]-N-(2,5-dihydroxy-1-propylpyrrol-3-yl)acetamide
CID 91437620
N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-N'-(2-hydroxyethyl)-2-methylbutanediamide
CID 91445769
N-[2,5-dihydroxy-1-[2,2,4-trimethyl-6-(4-oxo-2,7-dihydro-1,3-oxazepin-3-yl)hexyl]pyrrol-3-yl]-N-octylpropanamide
CID 91592458
N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-N-nonylacetamide
CID 123244491
N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-N-[8-(3-hexyl-6-methyl-2-octylcyclohexyl)octyl]-2-methylprop-2-enamide
CID 123296091
N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-N-(3-trimethoxysilylpropyl)propanamide
CID 123407031
N-[8-(6-butyl-3-hexyl-2-octylcyclohexyl)octyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide
CID 123431314

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]-2,5-dihydroxypyrrol-3-yl]-N-pentylpropanamide?
The IUPAC name of N-[1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]-2,5-dihydroxypyrrol-3-yl]-N-pentylpropanamide (CID 90795365) is N-[1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]-2,5-dihydroxypyrrol-3-yl]-N-pentylpropanamide.
What is the SMILES notation for N-[1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]-2,5-dihydroxypyrrol-3-yl]-N-pentylpropanamide?
The canonical SMILES for N-[1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]-2,5-dihydroxypyrrol-3-yl]-N-pentylpropanamide is CCCCCN(C(=O)CC)c1cc(O)n(CCCC(C)CN2C(=O)C=CC2=O)c1O.
What is the InChIKey of N-[1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]-2,5-dihydroxypyrrol-3-yl]-N-pentylpropanamide?
The InChIKey is KGXMPOGBNBCMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5/c1-4-6-7-12-23(18(26)5-2)17-14-21(29)24(22(17)30)13-8-9-16(3)15-25-19(27)10-11-20(25)28/h10-11,14,16,29-30H,4-9,12-13,15H2,1-3H3.
What are the key properties of N-[1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]-2,5-dihydroxypyrrol-3-yl]-N-pentylpropanamide?
N-[1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]-2,5-dihydroxypyrrol-3-yl]-N-pentylpropanamide has a molecular weight of 419.52 g/mol, XLogP of 3.17, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]-2,5-dihydroxypyrrol-3-yl]-N-pentylpropanamide is sourced from PubChem (CID 90795365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).