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

C20H27N3O4 — CID 40895735

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O
InChIInChI=1S/C20H27N3O4/c1-14-7-5-6-11-20(14)18(25)23(19(26)22-20)13-17(24)21-12-10-15-8-3-4-9-16(15)27-2/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,21,24)(H,22,26)/t14-,20+/m1/s1
InChIKeyTWWQOFACUNXXAC-VLIAUNLRSA-N
MW373.45 g/mol
LogP1.85
Rot. Bonds6

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

N-[2-(2-methoxyphenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 40895735) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID40895735
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O
InChIInChI=1S/C20H27N3O4/c1-14-7-5-6-11-20(14)18(25)23(19(26)22-20)13-17(24)21-12-10-15-8-3-4-9-16(15)27-2/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,21,24)(H,22,26)/t14-,20+/m1/s1
InChIKeyTWWQOFACUNXXAC-VLIAUNLRSA-N
XLogP1.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.85
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-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3279586
N-[2-(4-fluorophenyl)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2081664
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 2604082
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 6600873
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
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 9072284
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 9072276
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide
CID 8521724
N-[(2-chlorophenyl)methyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2530641
N-[2-(4-chlorophenyl)ethyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703346
N-[(4-methoxyphenyl)methyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2490547
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide
CID 51647046

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 40895735) is N-[2-(2-methoxyphenyl)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-[2-(2-methoxyphenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is COc1ccccc1CCNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is TWWQOFACUNXXAC-VLIAUNLRSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-14-7-5-6-11-20(14)18(25)23(19(26)22-20)13-17(24)21-12-10-15-8-3-4-9-16(15)27-2/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,21,24)(H,22,26)/t14-,20+/m1/s1.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 373.45 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 40895735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).