3-(butan-2-ylamino)-1-[5-[3-(butan-2-ylamino)-2,5-dioxopyrrolidin-1-yl]-4-methylpentyl]pyrrolidine-2,5-dione

C22H38N4O4 — CID 58785289

IUPAC3-(butan-2-ylamino)-1-[5-[3-(butan-2-ylamino)-2,5-dioxopyrrolidin-1-yl]-4-methylpentyl]pyrrolidine-2,5-dione
SMILESCCC(C)NC1CC(=O)N(CCCC(C)CN2C(=O)CC(NC(C)CC)C2=O)C1=O
InChIInChI=1S/C22H38N4O4/c1-6-15(4)23-17-11-19(27)25(21(17)29)10-8-9-14(3)13-26-20(28)12-18(22(26)30)24-16(5)7-2/h14-18,23-24H,6-13H2,1-5H3
InChIKeyHYPGXEOVOIHWQN-UHFFFAOYSA-N
MW422.57 g/mol
LogP1.43
Rot. Bonds12

About 3-(butan-2-ylamino)-1-[5-[3-(butan-2-ylamino)-2,5-dioxopyrrolidin-1-yl]-4-methylpentyl]pyrrolidine-2,5-dione

3-(butan-2-ylamino)-1-[5-[3-(butan-2-ylamino)-2,5-dioxopyrrolidin-1-yl]-4-methylpentyl]pyrrolidine-2,5-dione (PubChem CID 58785289) has the molecular formula C22H38N4O4 and a molecular weight of 422.57 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-1-[5-[3-(butan-2-ylamino)-2,5-dioxopyrrolidin-1-yl]-4-methylpentyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(butan-2-ylamino)-1-[5-[3-(butan-2-ylamino)-2,5-dioxopyrrolidin-1-yl]-4-methylpentyl]pyrrolidine-2,5-dione
PubChem CID58785289
Molecular FormulaC22H38N4O4
Molecular Weight422.57 g/mol
Exact Mass422.29
IUPAC Name3-(butan-2-ylamino)-1-[5-[3-(butan-2-ylamino)-2,5-dioxopyrrolidin-1-yl]-4-methylpentyl]pyrrolidine-2,5-dione
SMILESCCC(C)NC1CC(=O)N(CCCC(C)CN2C(=O)CC(NC(C)CC)C2=O)C1=O
InChIInChI=1S/C22H38N4O4/c1-6-15(4)23-17-11-19(27)25(21(17)29)10-8-9-14(3)13-26-20(28)12-18(22(26)30)24-16(5)7-2/h14-18,23-24H,6-13H2,1-5H3
InChIKeyHYPGXEOVOIHWQN-UHFFFAOYSA-N
XLogP1.43
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-1-[5-[3-(butan-2-ylamino)-2,5-dioxopyrrolidin-1-yl]-4-methylpentyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(butan-2-ylamino)-1-[5-[3-(butan-2-ylamino)-2,5-dioxopyrrolidin-1-yl]-4-methylpentyl]pyrrolidine-2,5-dione (CID 58785289) is 3-(butan-2-ylamino)-1-[5-[3-(butan-2-ylamino)-2,5-dioxopyrrolidin-1-yl]-4-methylpentyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(butan-2-ylamino)-1-[5-[3-(butan-2-ylamino)-2,5-dioxopyrrolidin-1-yl]-4-methylpentyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(butan-2-ylamino)-1-[5-[3-(butan-2-ylamino)-2,5-dioxopyrrolidin-1-yl]-4-methylpentyl]pyrrolidine-2,5-dione is CCC(C)NC1CC(=O)N(CCCC(C)CN2C(=O)CC(NC(C)CC)C2=O)C1=O.
What is the InChIKey of 3-(butan-2-ylamino)-1-[5-[3-(butan-2-ylamino)-2,5-dioxopyrrolidin-1-yl]-4-methylpentyl]pyrrolidine-2,5-dione?
The InChIKey is HYPGXEOVOIHWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O4/c1-6-15(4)23-17-11-19(27)25(21(17)29)10-8-9-14(3)13-26-20(28)12-18(22(26)30)24-16(5)7-2/h14-18,23-24H,6-13H2,1-5H3.
What are the key properties of 3-(butan-2-ylamino)-1-[5-[3-(butan-2-ylamino)-2,5-dioxopyrrolidin-1-yl]-4-methylpentyl]pyrrolidine-2,5-dione?
3-(butan-2-ylamino)-1-[5-[3-(butan-2-ylamino)-2,5-dioxopyrrolidin-1-yl]-4-methylpentyl]pyrrolidine-2,5-dione has a molecular weight of 422.57 g/mol, XLogP of 1.43, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-1-[5-[3-(butan-2-ylamino)-2,5-dioxopyrrolidin-1-yl]-4-methylpentyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58785289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).