N-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide

C21H28N4O5 — CID 48501803

IUPACN-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
SMILESCOc1ccc(CNC(=O)CNC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cc1
InChIInChI=1S/C21H28N4O5/c1-14-5-3-4-10-21(14)19(28)25(20(29)24-21)13-18(27)23-12-17(26)22-11-15-6-8-16(30-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,29)
InChIKeyDIQFMQOOIACDEK-UHFFFAOYSA-N
MW416.48 g/mol
LogP0.93
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide

N-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide (PubChem CID 48501803) has the molecular formula C21H28N4O5 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
PubChem CID48501803
Molecular FormulaC21H28N4O5
Molecular Weight416.48 g/mol
Exact Mass416.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
SMILESCOc1ccc(CNC(=O)CNC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cc1
InChIInChI=1S/C21H28N4O5/c1-14-5-3-4-10-21(14)19(28)25(20(29)24-21)13-18(27)23-12-17(26)22-11-15-6-8-16(30-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,29)
InChIKeyDIQFMQOOIACDEK-UHFFFAOYSA-N
XLogP0.93
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2490547
N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3279586
2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 25444061
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711629
N-(benzylcarbamoyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703371
2-methyl-N-[4-[[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]propanamide
CID 55510281
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 42926750
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18201440
N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
CID 25397724
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4882264
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 92786574
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41242831

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide (CID 48501803) is N-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide is COc1ccc(CNC(=O)CNC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide?
The InChIKey is DIQFMQOOIACDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5/c1-14-5-3-4-10-21(14)19(28)25(20(29)24-21)13-18(27)23-12-17(26)22-11-15-6-8-16(30-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,29).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide has a molecular weight of 416.48 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide is sourced from PubChem (CID 48501803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).