(5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione

C19H25N3O3 — CID 129488185

IUPAC(5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione
SMILESCc1c(N[C@@H]2CCOC3(CCC3)C2)cccc1N1C(=O)N[C@@H](C)C1=O
InChIInChI=1S/C19H25N3O3/c1-12-15(21-14-7-10-25-19(11-14)8-4-9-19)5-3-6-16(12)22-17(23)13(2)20-18(22)24/h3,5-6,13-14,21H,4,7-11H2,1-2H3,(H,20,24)/t13-,14+/m0/s1
InChIKeyWOGONSKPFOUIAV-UONOGXRCSA-N
MW343.43 g/mol
LogP2.95
Rot. Bonds3

About (5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione

(5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione (PubChem CID 129488185) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione
PubChem CID129488185
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione
SMILESCc1c(N[C@@H]2CCOC3(CCC3)C2)cccc1N1C(=O)N[C@@H](C)C1=O
InChIInChI=1S/C19H25N3O3/c1-12-15(21-14-7-10-25-19(11-14)8-4-9-19)5-3-6-16(12)22-17(23)13(2)20-18(22)24/h3,5-6,13-14,21H,4,7-11H2,1-2H3,(H,20,24)/t13-,14+/m0/s1
InChIKeyWOGONSKPFOUIAV-UONOGXRCSA-N
XLogP2.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione (CID 129488185) is (5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione is Cc1c(N[C@@H]2CCOC3(CCC3)C2)cccc1N1C(=O)N[C@@H](C)C1=O.
What is the InChIKey of (5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione?
The InChIKey is WOGONSKPFOUIAV-UONOGXRCSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-15(21-14-7-10-25-19(11-14)8-4-9-19)5-3-6-16(12)22-17(23)13(2)20-18(22)24/h3,5-6,13-14,21H,4,7-11H2,1-2H3,(H,20,24)/t13-,14+/m0/s1.
What are the key properties of (5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione?
(5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione has a molecular weight of 343.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 129488185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).