N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C19H24ClN3O4 — CID 2462481

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C19H24ClN3O4/c1-11-8-14(15(27-3)9-13(11)20)21-16(24)10-23-17(25)19(22-18(23)26)7-5-4-6-12(19)2/h8-9,12H,4-7,10H2,1-3H3,(H,21,24)(H,22,26)/t12-,19+/m0/s1
InChIKeyOYRRKKRSAKWNLY-HXPMCKFVSA-N
MW393.87 g/mol
LogP3.10
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 2462481) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID2462481
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C19H24ClN3O4/c1-11-8-14(15(27-3)9-13(11)20)21-16(24)10-23-17(25)19(22-18(23)26)7-5-4-6-12(19)2/h8-9,12H,4-7,10H2,1-3H3,(H,21,24)(H,22,26)/t12-,19+/m0/s1
InChIKeyOYRRKKRSAKWNLY-HXPMCKFVSA-N
XLogP3.10
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4553627
N-(5-chloro-2-methoxyphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703591
N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4797462
N-(4-chloro-2-methylphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703321
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylphenyl)acetamide
CID 2703483
N-(2-chloro-4-fluorophenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703504
N-(2-chloro-4-fluorophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703501
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25361418
N-(3,5-dimethylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703524
N-(2-chloro-5-nitrophenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 6598296
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2585053
2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 46436703

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 2462481) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is OYRRKKRSAKWNLY-HXPMCKFVSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c1-11-8-14(15(27-3)9-13(11)20)21-16(24)10-23-17(25)19(22-18(23)26)7-5-4-6-12(19)2/h8-9,12H,4-7,10H2,1-3H3,(H,21,24)(H,22,26)/t12-,19+/m0/s1.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 393.87 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 2462481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).