N,2-diethyl-N-methyl-7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanamide

C17H30N2O3 — CID 126603005

IUPACN,2-diethyl-N-methyl-7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanamide
SMILESCCC(CCCCCN1C(=O)CC(C)C1=O)C(=O)N(C)CC
InChIInChI=1S/C17H30N2O3/c1-5-14(17(22)18(4)6-2)10-8-7-9-11-19-15(20)12-13(3)16(19)21/h13-14H,5-12H2,1-4H3
InChIKeySLQDMROBTFXDMN-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.45
Rot. Bonds9

About N,2-diethyl-N-methyl-7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanamide

N,2-diethyl-N-methyl-7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanamide (PubChem CID 126603005) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is N,2-diethyl-N-methyl-7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanamide.

Molecular Properties

Compound NameN,2-diethyl-N-methyl-7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanamide
PubChem CID126603005
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC NameN,2-diethyl-N-methyl-7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanamide
SMILESCCC(CCCCCN1C(=O)CC(C)C1=O)C(=O)N(C)CC
InChIInChI=1S/C17H30N2O3/c1-5-14(17(22)18(4)6-2)10-8-7-9-11-19-15(20)12-13(3)16(19)21/h13-14H,5-12H2,1-4H3
InChIKeySLQDMROBTFXDMN-UHFFFAOYSA-N
XLogP2.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.45
H-Bond Donors ≤ 50
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,2-diethyl-N-methyl-7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanamide?
The IUPAC name of N,2-diethyl-N-methyl-7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanamide (CID 126603005) is N,2-diethyl-N-methyl-7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanamide.
What is the SMILES notation for N,2-diethyl-N-methyl-7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanamide?
The canonical SMILES for N,2-diethyl-N-methyl-7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanamide is CCC(CCCCCN1C(=O)CC(C)C1=O)C(=O)N(C)CC.
What is the InChIKey of N,2-diethyl-N-methyl-7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanamide?
The InChIKey is SLQDMROBTFXDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-5-14(17(22)18(4)6-2)10-8-7-9-11-19-15(20)12-13(3)16(19)21/h13-14H,5-12H2,1-4H3.
What are the key properties of N,2-diethyl-N-methyl-7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanamide?
N,2-diethyl-N-methyl-7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanamide has a molecular weight of 310.44 g/mol, XLogP of 2.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-methyl-7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanamide is sourced from PubChem (CID 126603005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).