2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium)

C57H107N5O3Y2-4 — CID 161054536

IUPAC2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium)
SMILESCC.CC.CC.CC.C[C@@H]1[C@H](C)CC[C@@H]1C1CCC1C(=O)Nc1ccccc1.C[N-]C(=O)C1CCNCC1[C@H]1CC[C@@H](C)[C@H]1C.C[N-]C(=O)C1CNCC1[C@H]1CC[C@@H](C)[C@H]1C.[CH2-]C.[CH2-]C.[Y].[Y]
InChIInChI=1S/C18H25NO.C14H26N2O.C13H24N2O.4C2H6.2C2H5.2Y/c1-12-8-9-15(13(12)2)16-10-11-17(16)18(20)19-14-6-4-3-5-7-14;1-9-4-5-11(10(9)2)13-8-16-7-6-12(13)14(17)15-3;1-8-4-5-10(9(8)2)11-6-15-7-12(11)13(16)14-3;6*1-2;;/h3-7,12-13,15-17H,8-11H2,1-2H3,(H,19,20);9-13,16H,4-8H2,1-3H3,(H,15,17);8-12,15H,4-7H2,1-3H3,(H,14,16);4*1-2H3;2*1H2,2H3;;/q;;;;;;;2*-1;;/p-2/t12-,13-,15+,16?,17?;9-,10-,11+,12?,13?;8-,9-,10+,11?,12?;;;;;;;;/m111......../s1
InChIKeyNSBXHKPAKTUHKA-CCPLXBAASA-L
MW1088.33 g/mol
LogP14.57
Rot. Bonds7

About 2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium)

2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium) (PubChem CID 161054536) has the molecular formula C57H107N5O3Y2-4 and a molecular weight of 1088.33 g/mol. Its IUPAC name is 2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium).

Molecular Properties

Compound Name2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium)
PubChem CID161054536
Molecular FormulaC57H107N5O3Y2-4
Molecular Weight1088.33 g/mol
Exact Mass1087.65
IUPAC Name2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium)
SMILESCC.CC.CC.CC.C[C@@H]1[C@H](C)CC[C@@H]1C1CCC1C(=O)Nc1ccccc1.C[N-]C(=O)C1CCNCC1[C@H]1CC[C@@H](C)[C@H]1C.C[N-]C(=O)C1CNCC1[C@H]1CC[C@@H](C)[C@H]1C.[CH2-]C.[CH2-]C.[Y].[Y]
InChIInChI=1S/C18H25NO.C14H26N2O.C13H24N2O.4C2H6.2C2H5.2Y/c1-12-8-9-15(13(12)2)16-10-11-17(16)18(20)19-14-6-4-3-5-7-14;1-9-4-5-11(10(9)2)13-8-16-7-6-12(13)14(17)15-3;1-8-4-5-10(9(8)2)11-6-15-7-12(11)13(16)14-3;6*1-2;;/h3-7,12-13,15-17H,8-11H2,1-2H3,(H,19,20);9-13,16H,4-8H2,1-3H3,(H,15,17);8-12,15H,4-7H2,1-3H3,(H,14,16);4*1-2H3;2*1H2,2H3;;/q;;;;;;;2*-1;;/p-2/t12-,13-,15+,16?,17?;9-,10-,11+,12?,13?;8-,9-,10+,11?,12?;;;;;;;;/m111......../s1
InChIKeyNSBXHKPAKTUHKA-CCPLXBAASA-L
XLogP14.57
TPSA115.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001088.33
LogP ≤ 514.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium)?
The IUPAC name of 2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium) (CID 161054536) is 2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium).
What is the SMILES notation for 2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium)?
The canonical SMILES for 2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium) is CC.CC.CC.CC.C[C@@H]1[C@H](C)CC[C@@H]1C1CCC1C(=O)Nc1ccccc1.C[N-]C(=O)C1CCNCC1[C@H]1CC[C@@H](C)[C@H]1C.C[N-]C(=O)C1CNCC1[C@H]1CC[C@@H](C)[C@H]1C.[CH2-]C.[CH2-]C.[Y].[Y].
What is the InChIKey of 2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium)?
The InChIKey is NSBXHKPAKTUHKA-CCPLXBAASA-L. The full InChI is InChI=1S/C18H25NO.C14H26N2O.C13H24N2O.4C2H6.2C2H5.2Y/c1-12-8-9-15(13(12)2)16-10-11-17(16)18(20)19-14-6-4-3-5-7-14;1-9-4-5-11(10(9)2)13-8-16-7-6-12(13)14(17)15-3;1-8-4-5-10(9(8)2)11-6-15-7-12(11)13(16)14-3;6*1-2;;/h3-7,12-13,15-17H,8-11H2,1-2H3,(H,19,20);9-13,16H,4-8H2,1-3H3,(H,15,17);8-12,15H,4-7H2,1-3H3,(H,14,16);4*1-2H3;2*1H2,2H3;;/q;;;;;;;2*-1;;/p-2/t12-,13-,15+,16?,17?;9-,10-,11+,12?,13?;8-,9-,10+,11?,12?;;;;;;;;/m111......../s1.
What are the key properties of 2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium)?
2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium) has a molecular weight of 1088.33 g/mol, XLogP of 14.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium) is sourced from PubChem (CID 161054536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).