3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione

C17H23N3O2 — CID 124726189

IUPAC3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)CC[C@H](NCCN2C(=O)CNC2=O)c2ccccc21
InChIInChI=1S/C17H23N3O2/c1-17(2)8-7-14(12-5-3-4-6-13(12)17)18-9-10-20-15(21)11-19-16(20)22/h3-6,14,18H,7-11H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyBRLLIFWPTIRTSO-AWEZNQCLSA-N
MW301.39 g/mol
LogP1.94
Rot. Bonds4

About 3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione

3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione (PubChem CID 124726189) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione
PubChem CID124726189
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)CC[C@H](NCCN2C(=O)CNC2=O)c2ccccc21
InChIInChI=1S/C17H23N3O2/c1-17(2)8-7-14(12-5-3-4-6-13(12)17)18-9-10-20-15(21)11-19-16(20)22/h3-6,14,18H,7-11H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyBRLLIFWPTIRTSO-AWEZNQCLSA-N
XLogP1.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione (CID 124726189) is 3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione is CC1(C)CC[C@H](NCCN2C(=O)CNC2=O)c2ccccc21.
What is the InChIKey of 3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione?
The InChIKey is BRLLIFWPTIRTSO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2)8-7-14(12-5-3-4-6-13(12)17)18-9-10-20-15(21)11-19-16(20)22/h3-6,14,18H,7-11H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of 3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione?
3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione has a molecular weight of 301.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124726189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).