3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;N-(hydroxymethyl)-4-(4-methylphenyl)-N-propylbutanamide

C23H33N3O5 — CID 90725463

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;N-(hydroxymethyl)-4-(4-methylphenyl)-N-propylbutanamide
SMILESCCCN(CO)C(=O)CCCc1ccc(C)cc1.CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C15H23NO2.C8H10N2O3/c1-3-11-16(12-17)15(18)6-4-5-14-9-7-13(2)8-10-14;1-9-6(11)4-5-10-7(12)2-3-8(10)13/h7-10,17H,3-6,11-12H2,1-2H3;2-3H,4-5H2,1H3,(H,9,11)
InChIKeyIHRNAWHIZWHDNA-UHFFFAOYSA-N
MW431.53 g/mol
LogP1.55
Rot. Bonds10

About 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;N-(hydroxymethyl)-4-(4-methylphenyl)-N-propylbutanamide

3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;N-(hydroxymethyl)-4-(4-methylphenyl)-N-propylbutanamide (PubChem CID 90725463) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;N-(hydroxymethyl)-4-(4-methylphenyl)-N-propylbutanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;N-(hydroxymethyl)-4-(4-methylphenyl)-N-propylbutanamide
PubChem CID90725463
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;N-(hydroxymethyl)-4-(4-methylphenyl)-N-propylbutanamide
SMILESCCCN(CO)C(=O)CCCc1ccc(C)cc1.CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C15H23NO2.C8H10N2O3/c1-3-11-16(12-17)15(18)6-4-5-14-9-7-13(2)8-10-14;1-9-6(11)4-5-10-7(12)2-3-8(10)13/h7-10,17H,3-6,11-12H2,1-2H3;2-3H,4-5H2,1H3,(H,9,11)
InChIKeyIHRNAWHIZWHDNA-UHFFFAOYSA-N
XLogP1.55
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Edulimide
CID 10548550
E-5050
CID 129506
7-[(3E)-2,5-dioxo-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidin-1-yl]-N-hydroxyheptanamide
CID 169092080
Cinnamamide, N-(2-diethylaminoethyl)-alpha-pentyl-
CID 6434774
1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-((phenylacetyl)amino)propyl)-2,2,5,5-tetramethyl-,monohydrochloride
CID 14306895
(Z)-2-(4-methylphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide
CID 11415780
2,2,5,5-tetramethyl-N-[3-[(2-phenylacetyl)amino]propyl]-1H-pyrrole-3-carboxamide
CID 14306894
N-[3-(hydroxyamino)-3-oxopropyl]-3-(4-methylphenyl)propanamide
CID 70697398
N-(2-hydroxyethyl)-3-(4-methylphenyl)propanamide
CID 43394076
N-[3-(2,5-dioxopyrrol-1-yl)propyl]-4-(2-ethenyl-2-fluorooctyl)benzamide
CID 146374208
2-[(4-fluorophenyl)methyl]-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]propanamide
CID 56379950
N-acetyl-3-phenyl-N-[4-(3-phenylprop-2-enoylamino)butyl]propanamide
CID 85180815

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;N-(hydroxymethyl)-4-(4-methylphenyl)-N-propylbutanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;N-(hydroxymethyl)-4-(4-methylphenyl)-N-propylbutanamide (CID 90725463) is 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;N-(hydroxymethyl)-4-(4-methylphenyl)-N-propylbutanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;N-(hydroxymethyl)-4-(4-methylphenyl)-N-propylbutanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;N-(hydroxymethyl)-4-(4-methylphenyl)-N-propylbutanamide is CCCN(CO)C(=O)CCCc1ccc(C)cc1.CNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;N-(hydroxymethyl)-4-(4-methylphenyl)-N-propylbutanamide?
The InChIKey is IHRNAWHIZWHDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.C8H10N2O3/c1-3-11-16(12-17)15(18)6-4-5-14-9-7-13(2)8-10-14;1-9-6(11)4-5-10-7(12)2-3-8(10)13/h7-10,17H,3-6,11-12H2,1-2H3;2-3H,4-5H2,1H3,(H,9,11).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;N-(hydroxymethyl)-4-(4-methylphenyl)-N-propylbutanamide?
3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;N-(hydroxymethyl)-4-(4-methylphenyl)-N-propylbutanamide has a molecular weight of 431.53 g/mol, XLogP of 1.55, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;N-(hydroxymethyl)-4-(4-methylphenyl)-N-propylbutanamide is sourced from PubChem (CID 90725463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).