(5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C17H19BrN2O3 — CID 7181755

IUPAC(5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1cccc(Br)c1)C2=O
InChIInChI=1S/C17H19BrN2O3/c1-11-5-2-3-8-17(11)15(22)20(16(23)19-17)10-14(21)12-6-4-7-13(18)9-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,19,23)/t11-,17-/m1/s1
InChIKeySSPURZYLYYDKCS-PIGZYNQJSA-N
MW379.25 g/mol
LogP3.13
Rot. Bonds3

About (5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

(5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 7181755) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is (5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID7181755
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name(5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1cccc(Br)c1)C2=O
InChIInChI=1S/C17H19BrN2O3/c1-11-5-2-3-8-17(11)15(22)20(16(23)19-17)10-14(21)12-6-4-7-13(18)9-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,19,23)/t11-,17-/m1/s1
InChIKeySSPURZYLYYDKCS-PIGZYNQJSA-N
XLogP3.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S,6R)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40791004
(5S,6R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680984
(5R,6S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680971
(5S,6R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680977
(5R,6S)-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51884022
N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703428
N-(3-acetylphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703426
(5S,6S)-3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 11888805
(5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 33407230
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
phenacyl 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7480580
4-bromo-N'-[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]benzohydrazide
CID 2538583

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 7181755) is (5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1cccc(Br)c1)C2=O.
What is the InChIKey of (5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is SSPURZYLYYDKCS-PIGZYNQJSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-11-5-2-3-8-17(11)15(22)20(16(23)19-17)10-14(21)12-6-4-7-13(18)9-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,19,23)/t11-,17-/m1/s1.
What are the key properties of (5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 379.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 7181755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).