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

C19H23Cl2N3O3 — CID 7265379

IUPACN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H23Cl2N3O3/c1-11-5-3-4-8-19(11)17(26)24(18(27)23-19)10-16(25)22-12(2)14-7-6-13(20)9-15(14)21/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,22,25)(H,23,27)/t11-,12+,19+/m1/s1
InChIKeyBCYLLQOQOIDVBZ-UFYHVXEKSA-N
MW412.32 g/mol
LogP3.67
Rot. Bonds4

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

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 7265379) has the molecular formula C19H23Cl2N3O3 and a molecular weight of 412.32 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID7265379
Molecular FormulaC19H23Cl2N3O3
Molecular Weight412.32 g/mol
Exact Mass411.11
IUPAC NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H23Cl2N3O3/c1-11-5-3-4-8-19(11)17(26)24(18(27)23-19)10-16(25)22-12(2)14-7-6-13(20)9-15(14)21/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,22,25)(H,23,27)/t11-,12+,19+/m1/s1
InChIKeyBCYLLQOQOIDVBZ-UFYHVXEKSA-N
XLogP3.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 4880191
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 42978759
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2578366
N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46972949
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7265457
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 6591160
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,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide
CID 2681071
N-(3-chloro-4-fluorophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703421
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55595904

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 7265379) is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is BCYLLQOQOIDVBZ-UFYHVXEKSA-N. The full InChI is InChI=1S/C19H23Cl2N3O3/c1-11-5-3-4-8-19(11)17(26)24(18(27)23-19)10-16(25)22-12(2)14-7-6-13(20)9-15(14)21/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,22,25)(H,23,27)/t11-,12+,19+/m1/s1.
What are the key properties of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 412.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 7265379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).