(2S)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide

C17H32N4O3 — CID 75411535

IUPAC(2S)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)N(C)CCN(C)C)CCOCC1
InChIInChI=1S/C17H32N4O3/c1-18-16(23)17(7-12-24-13-8-17)21-9-5-6-14(21)15(22)20(4)11-10-19(2)3/h14H,5-13H2,1-4H3,(H,18,23)/t14-/m0/s1
InChIKeyHPBBSRYHHVJBMR-AWEZNQCLSA-N
MW340.47 g/mol
LogP-0.23
Rot. Bonds6

About (2S)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide

(2S)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide (PubChem CID 75411535) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2S)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
PubChem CID75411535
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Name(2S)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)N(C)CCN(C)C)CCOCC1
InChIInChI=1S/C17H32N4O3/c1-18-16(23)17(7-12-24-13-8-17)21-9-5-6-14(21)15(22)20(4)11-10-19(2)3/h14H,5-13H2,1-4H3,(H,18,23)/t14-/m0/s1
InChIKeyHPBBSRYHHVJBMR-AWEZNQCLSA-N
XLogP-0.23
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide (CID 75411535) is (2S)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide is CNC(=O)C1(N2CCC[C@H]2C(=O)N(C)CCN(C)C)CCOCC1.
What is the InChIKey of (2S)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is HPBBSRYHHVJBMR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-18-16(23)17(7-12-24-13-8-17)21-9-5-6-14(21)15(22)20(4)11-10-19(2)3/h14H,5-13H2,1-4H3,(H,18,23)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide?
(2S)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of -0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).