N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide

C12H25N3O2 — CID 54968386

IUPACN-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)CCN(C)C)C1
InChIInChI=1S/C12H25N3O2/c1-9(5-6-15(2)3)14-12(16)11-7-10(17-4)8-13-11/h9-11,13H,5-8H2,1-4H3,(H,14,16)
InChIKeyJNOAFKCFBNNYJR-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.18
Rot. Bonds6

About N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide

N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 54968386) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID54968386
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)CCN(C)C)C1
InChIInChI=1S/C12H25N3O2/c1-9(5-6-15(2)3)14-12(16)11-7-10(17-4)8-13-11/h9-11,13H,5-8H2,1-4H3,(H,14,16)
InChIKeyJNOAFKCFBNNYJR-UHFFFAOYSA-N
XLogP-0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide (CID 54968386) is N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NC(C)CCN(C)C)C1.
What is the InChIKey of N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is JNOAFKCFBNNYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(5-6-15(2)3)14-12(16)11-7-10(17-4)8-13-11/h9-11,13H,5-8H2,1-4H3,(H,14,16).
What are the key properties of N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide?
N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 243.35 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 54968386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).