(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide;dihydrochloride

C19H38Cl2N4O2 — CID 127023412

IUPAC(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide;dihydrochloride
SMILESCNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N(C)CCN(C)C.Cl.Cl
InChIInChI=1S/C19H36N4O2.2ClH/c1-20-18(24)17(15-9-6-5-7-10-15)23-12-8-11-16(23)19(25)22(4)14-13-21(2)3;;/h15-17H,5-14H2,1-4H3,(H,20,24);2*1H/t16-,17+;;/m0../s1
InChIKeyKVPHFENXCBOEQU-UXHRTOHASA-N
MW425.45 g/mol
LogP2.01
Rot. Bonds7

About (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide;dihydrochloride

(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 127023412) has the molecular formula C19H38Cl2N4O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide;dihydrochloride
PubChem CID127023412
Molecular FormulaC19H38Cl2N4O2
Molecular Weight425.45 g/mol
Exact Mass424.24
IUPAC Name(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide;dihydrochloride
SMILESCNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N(C)CCN(C)C.Cl.Cl
InChIInChI=1S/C19H36N4O2.2ClH/c1-20-18(24)17(15-9-6-5-7-10-15)23-12-8-11-16(23)19(25)22(4)14-13-21(2)3;;/h15-17H,5-14H2,1-4H3,(H,20,24);2*1H/t16-,17+;;/m0../s1
InChIKeyKVPHFENXCBOEQU-UXHRTOHASA-N
XLogP2.01
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide;dihydrochloride (CID 127023412) is (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide;dihydrochloride is CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N(C)CCN(C)C.Cl.Cl.
What is the InChIKey of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is KVPHFENXCBOEQU-UXHRTOHASA-N. The full InChI is InChI=1S/C19H36N4O2.2ClH/c1-20-18(24)17(15-9-6-5-7-10-15)23-12-8-11-16(23)19(25)22(4)14-13-21(2)3;;/h15-17H,5-14H2,1-4H3,(H,20,24);2*1H/t16-,17+;;/m0../s1.
What are the key properties of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide;dihydrochloride?
(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 425.45 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 127023412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).