3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-1-[[3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione

C29H54N6O6 — CID 92534506

IUPAC3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-1-[[3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCCN(CCC)C[C@H](O)CN1C(=O)N(CN2C(=O)N(C[C@@H](O)CN(CCC)CCC)C(=O)C2(C)C)C(C)(C)C1=O
InChIInChI=1S/C29H54N6O6/c1-9-13-30(14-10-2)17-22(36)19-32-24(38)28(5,6)34(26(32)40)21-35-27(41)33(25(39)29(35,7)8)20-23(37)18-31(15-11-3)16-12-4/h22-23,36-37H,9-21H2,1-8H3/t22-,23-/m0/s1
InChIKeyCAYUBHBMCOYMMJ-GOTSBHOMSA-N
MW582.79 g/mol
LogP2.00
Rot. Bonds18

About 3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-1-[[3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-1-[[3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 92534506) has the molecular formula C29H54N6O6 and a molecular weight of 582.79 g/mol. Its IUPAC name is 3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-1-[[3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-1-[[3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID92534506
Molecular FormulaC29H54N6O6
Molecular Weight582.79 g/mol
Exact Mass582.41
IUPAC Name3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-1-[[3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCCN(CCC)C[C@H](O)CN1C(=O)N(CN2C(=O)N(C[C@@H](O)CN(CCC)CCC)C(=O)C2(C)C)C(C)(C)C1=O
InChIInChI=1S/C29H54N6O6/c1-9-13-30(14-10-2)17-22(36)19-32-24(38)28(5,6)34(26(32)40)21-35-27(41)33(25(39)29(35,7)8)20-23(37)18-31(15-11-3)16-12-4/h22-23,36-37H,9-21H2,1-8H3/t22-,23-/m0/s1
InChIKeyCAYUBHBMCOYMMJ-GOTSBHOMSA-N
XLogP2.00
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.79
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-1-[[3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-1-[[3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 92534506) is 3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-1-[[3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-1-[[3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-1-[[3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione is CCCN(CCC)C[C@H](O)CN1C(=O)N(CN2C(=O)N(C[C@@H](O)CN(CCC)CCC)C(=O)C2(C)C)C(C)(C)C1=O.
What is the InChIKey of 3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-1-[[3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is CAYUBHBMCOYMMJ-GOTSBHOMSA-N. The full InChI is InChI=1S/C29H54N6O6/c1-9-13-30(14-10-2)17-22(36)19-32-24(38)28(5,6)34(26(32)40)21-35-27(41)33(25(39)29(35,7)8)20-23(37)18-31(15-11-3)16-12-4/h22-23,36-37H,9-21H2,1-8H3/t22-,23-/m0/s1.
What are the key properties of 3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-1-[[3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-1-[[3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 582.79 g/mol, XLogP of 2.00, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-1-[[3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 92534506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).