N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C18H35N3O2 — CID 71894789

IUPACN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C18H35N3O2/c1-7-19(8-2)9-10-20(12-14(3)4)18(23)16-11-17(22)21(13-16)15(5)6/h14-16H,7-13H2,1-6H3
InChIKeyYMUIVRBPOSZMQA-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.07
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 71894789) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID71894789
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC NameN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C18H35N3O2/c1-7-19(8-2)9-10-20(12-14(3)4)18(23)16-11-17(22)21(13-16)15(5)6/h14-16H,7-13H2,1-6H3
InChIKeyYMUIVRBPOSZMQA-UHFFFAOYSA-N
XLogP2.07
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 71894789) is N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CCN(CC)CCN(CC(C)C)C(=O)C1CC(=O)N(C(C)C)C1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is YMUIVRBPOSZMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-7-19(8-2)9-10-20(12-14(3)4)18(23)16-11-17(22)21(13-16)15(5)6/h14-16H,7-13H2,1-6H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 325.50 g/mol, XLogP of 2.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 71894789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).