1-[3-(2-hydroxyethyl)-5-(propan-2-ylamino)-3-[2-(propan-2-ylamino)ethyl]pentyl]pyrrole-2,5-dione

C19H35N3O3 — CID 168747549

IUPAC1-[3-(2-hydroxyethyl)-5-(propan-2-ylamino)-3-[2-(propan-2-ylamino)ethyl]pentyl]pyrrole-2,5-dione
SMILESCC(C)NCCC(CCO)(CCNC(C)C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C19H35N3O3/c1-15(2)20-11-7-19(10-14-23,8-12-21-16(3)4)9-13-22-17(24)5-6-18(22)25/h5-6,15-16,20-21,23H,7-14H2,1-4H3
InChIKeyFZIVSDFLRMPEED-UHFFFAOYSA-N
MW353.51 g/mol
LogP1.45
Rot. Bonds13

About 1-[3-(2-hydroxyethyl)-5-(propan-2-ylamino)-3-[2-(propan-2-ylamino)ethyl]pentyl]pyrrole-2,5-dione

1-[3-(2-hydroxyethyl)-5-(propan-2-ylamino)-3-[2-(propan-2-ylamino)ethyl]pentyl]pyrrole-2,5-dione (PubChem CID 168747549) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)-5-(propan-2-ylamino)-3-[2-(propan-2-ylamino)ethyl]pentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)-5-(propan-2-ylamino)-3-[2-(propan-2-ylamino)ethyl]pentyl]pyrrole-2,5-dione
PubChem CID168747549
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Name1-[3-(2-hydroxyethyl)-5-(propan-2-ylamino)-3-[2-(propan-2-ylamino)ethyl]pentyl]pyrrole-2,5-dione
SMILESCC(C)NCCC(CCO)(CCNC(C)C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C19H35N3O3/c1-15(2)20-11-7-19(10-14-23,8-12-21-16(3)4)9-13-22-17(24)5-6-18(22)25/h5-6,15-16,20-21,23H,7-14H2,1-4H3
InChIKeyFZIVSDFLRMPEED-UHFFFAOYSA-N
XLogP1.45
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione
CID 67149618
2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]propanoic acid
CID 175693527
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide
CID 118088116
1-[6-[2-(tert-butylamino)ethyl-[2-(propan-2-ylamino)ethyl]amino]hexyl]pyrrole-2,5-dione
CID 168747568
3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide
CID 143678940
1-[3-[4-[(propan-2-ylamino)methyl]phenyl]propyl]pyrrole-2,5-dione
CID 154588761
1-[3-hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione
CID 121263271
1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione
CID 23385993
N-(3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 118446686
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide
CID 159317108
N-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide
CID 176989879
1-[2-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(methylamino)ethyl]pyrrole-2,5-dione
CID 176989994

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)-5-(propan-2-ylamino)-3-[2-(propan-2-ylamino)ethyl]pentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(2-hydroxyethyl)-5-(propan-2-ylamino)-3-[2-(propan-2-ylamino)ethyl]pentyl]pyrrole-2,5-dione (CID 168747549) is 1-[3-(2-hydroxyethyl)-5-(propan-2-ylamino)-3-[2-(propan-2-ylamino)ethyl]pentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)-5-(propan-2-ylamino)-3-[2-(propan-2-ylamino)ethyl]pentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(2-hydroxyethyl)-5-(propan-2-ylamino)-3-[2-(propan-2-ylamino)ethyl]pentyl]pyrrole-2,5-dione is CC(C)NCCC(CCO)(CCNC(C)C)CCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[3-(2-hydroxyethyl)-5-(propan-2-ylamino)-3-[2-(propan-2-ylamino)ethyl]pentyl]pyrrole-2,5-dione?
The InChIKey is FZIVSDFLRMPEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-15(2)20-11-7-19(10-14-23,8-12-21-16(3)4)9-13-22-17(24)5-6-18(22)25/h5-6,15-16,20-21,23H,7-14H2,1-4H3.
What are the key properties of 1-[3-(2-hydroxyethyl)-5-(propan-2-ylamino)-3-[2-(propan-2-ylamino)ethyl]pentyl]pyrrole-2,5-dione?
1-[3-(2-hydroxyethyl)-5-(propan-2-ylamino)-3-[2-(propan-2-ylamino)ethyl]pentyl]pyrrole-2,5-dione has a molecular weight of 353.51 g/mol, XLogP of 1.45, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)-5-(propan-2-ylamino)-3-[2-(propan-2-ylamino)ethyl]pentyl]pyrrole-2,5-dione is sourced from PubChem (CID 168747549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).