(3R)-N,N-dibutyl-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

C17H32N2O3 — CID 9365192

IUPAC(3R)-N,N-dibutyl-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)[C@@H]1CC(=O)N([C@H](C)COC)C1
InChIInChI=1S/C17H32N2O3/c1-5-7-9-18(10-8-6-2)17(21)15-11-16(20)19(12-15)14(3)13-22-4/h14-15H,5-13H2,1-4H3/t14-,15-/m1/s1
InChIKeySWBISBABVCUBDI-HUUCEWRRSA-N
MW312.45 g/mol
LogP2.30
Rot. Bonds10

About (3R)-N,N-dibutyl-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-N,N-dibutyl-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9365192) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is (3R)-N,N-dibutyl-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-dibutyl-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9365192
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name(3R)-N,N-dibutyl-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)[C@@H]1CC(=O)N([C@H](C)COC)C1
InChIInChI=1S/C17H32N2O3/c1-5-7-9-18(10-8-6-2)17(21)15-11-16(20)19(12-15)14(3)13-22-4/h14-15H,5-13H2,1-4H3/t14-,15-/m1/s1
InChIKeySWBISBABVCUBDI-HUUCEWRRSA-N
XLogP2.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dibutyl-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N,N-dibutyl-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 9365192) is (3R)-N,N-dibutyl-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-dibutyl-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-dibutyl-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is CCCCN(CCCC)C(=O)[C@@H]1CC(=O)N([C@H](C)COC)C1.
What is the InChIKey of (3R)-N,N-dibutyl-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SWBISBABVCUBDI-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-5-7-9-18(10-8-6-2)17(21)15-11-16(20)19(12-15)14(3)13-22-4/h14-15H,5-13H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of (3R)-N,N-dibutyl-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N,N-dibutyl-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 312.45 g/mol, XLogP of 2.30, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dibutyl-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9365192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).