N-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide

C17H30N2O3 — CID 139590719

IUPACN-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide
SMILESCCC(C)CCCCCCCCC(=O)N[C@@H]1CC(=O)NC1=O
InChIInChI=1S/C17H30N2O3/c1-3-13(2)10-8-6-4-5-7-9-11-15(20)18-14-12-16(21)19-17(14)22/h13-14H,3-12H2,1-2H3,(H,18,20)(H,19,21,22)/t13?,14-/m1/s1
InChIKeyLCKMULXMUGZXNI-ARLHGKGLSA-N
MW310.44 g/mol
LogP2.68
Rot. Bonds11

About N-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide

N-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide (PubChem CID 139590719) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide.

Molecular Properties

Compound NameN-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide
PubChem CID139590719
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC NameN-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide
SMILESCCC(C)CCCCCCCCC(=O)N[C@@H]1CC(=O)NC1=O
InChIInChI=1S/C17H30N2O3/c1-3-13(2)10-8-6-4-5-7-9-11-15(20)18-14-12-16(21)19-17(14)22/h13-14H,3-12H2,1-2H3,(H,18,20)(H,19,21,22)/t13?,14-/m1/s1
InChIKeyLCKMULXMUGZXNI-ARLHGKGLSA-N
XLogP2.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide?
The IUPAC name of N-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide (CID 139590719) is N-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide.
What is the SMILES notation for N-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide?
The canonical SMILES for N-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide is CCC(C)CCCCCCCCC(=O)N[C@@H]1CC(=O)NC1=O.
What is the InChIKey of N-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide?
The InChIKey is LCKMULXMUGZXNI-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-3-13(2)10-8-6-4-5-7-9-11-15(20)18-14-12-16(21)19-17(14)22/h13-14H,3-12H2,1-2H3,(H,18,20)(H,19,21,22)/t13?,14-/m1/s1.
What are the key properties of N-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide?
N-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide has a molecular weight of 310.44 g/mol, XLogP of 2.68, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2,5-dioxopyrrolidin-3-yl]-10-methyldodecanamide is sourced from PubChem (CID 139590719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).