3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide

C16H28N4O5 — CID 174277679

IUPAC3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide
SMILESCNNC(=O)CCOCCC(C)NC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C16H28N4O5/c1-11-10-15(23)20(16(11)24)7-4-13(21)18-12(2)5-8-25-9-6-14(22)19-17-3/h11-12,17H,4-10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyJDHYEIKBEYGRRB-UHFFFAOYSA-N
MW356.42 g/mol
LogP-0.68
Rot. Bonds11

About 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide

3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide (PubChem CID 174277679) has the molecular formula C16H28N4O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide
PubChem CID174277679
Molecular FormulaC16H28N4O5
Molecular Weight356.42 g/mol
Exact Mass356.21
IUPAC Name3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide
SMILESCNNC(=O)CCOCCC(C)NC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C16H28N4O5/c1-11-10-15(23)20(16(11)24)7-4-13(21)18-12(2)5-8-25-9-6-14(22)19-17-3/h11-12,17H,4-10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyJDHYEIKBEYGRRB-UHFFFAOYSA-N
XLogP-0.68
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 121480755
N'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide
CID 153342826
3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
CID 71056162
(2S)-3-methyl-2-[3-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]-N-(2-oxopropyl)butanamide
CID 144981797
(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanamide
CID 178056500
3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2,5-dione
CID 167490860
N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 163865588
3-[2,5-dioxo-3-(phosphanylmethyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide
CID 130282787
N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 90191256
N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59331203
1-[2-[2-[2-[2-[3-(4-iodopiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 145076750
1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 103482320

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide?
The IUPAC name of 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide (CID 174277679) is 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide.
What is the SMILES notation for 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide?
The canonical SMILES for 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide is CNNC(=O)CCOCCC(C)NC(=O)CCN1C(=O)CC(C)C1=O.
What is the InChIKey of 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide?
The InChIKey is JDHYEIKBEYGRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O5/c1-11-10-15(23)20(16(11)24)7-4-13(21)18-12(2)5-8-25-9-6-14(22)19-17-3/h11-12,17H,4-10H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide?
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide has a molecular weight of 356.42 g/mol, XLogP of -0.68, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide is sourced from PubChem (CID 174277679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).