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

C19H35N3O4 — CID 155571740

IUPAC3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide
SMILESCNCCC(C)(C)OCCC(C)(C)NC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C19H35N3O4/c1-14-13-16(24)22(17(14)25)11-7-15(23)21-18(2,3)9-12-26-19(4,5)8-10-20-6/h14,20H,7-13H2,1-6H3,(H,21,23)
InChIKeyQQMDTBXKCHAJDL-UHFFFAOYSA-N
MW369.51 g/mol
LogP1.46
Rot. Bonds11

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

3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide (PubChem CID 155571740) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide
PubChem CID155571740
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Name3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide
SMILESCNCCC(C)(C)OCCC(C)(C)NC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C19H35N3O4/c1-14-13-16(24)22(17(14)25)11-7-15(23)21-18(2,3)9-12-26-19(4,5)8-10-20-6/h14,20H,7-13H2,1-6H3,(H,21,23)
InChIKeyQQMDTBXKCHAJDL-UHFFFAOYSA-N
XLogP1.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide?
The IUPAC name of 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide (CID 155571740) is 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide.
What is the SMILES notation for 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide?
The canonical SMILES for 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide is CNCCC(C)(C)OCCC(C)(C)NC(=O)CCN1C(=O)CC(C)C1=O.
What is the InChIKey of 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide?
The InChIKey is QQMDTBXKCHAJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-14-13-16(24)22(17(14)25)11-7-15(23)21-18(2,3)9-12-26-19(4,5)8-10-20-6/h14,20H,7-13H2,1-6H3,(H,21,23).
What are the key properties of 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide?
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide has a molecular weight of 369.51 g/mol, XLogP of 1.46, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide is sourced from PubChem (CID 155571740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).