N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

C20H26N4O4 — CID 18134850

IUPACN-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESCC1CCCCC12NC(=O)N(CCC(=O)NC(=O)NCc1ccccc1)C2=O
InChIInChI=1S/C20H26N4O4/c1-14-7-5-6-11-20(14)17(26)24(19(28)23-20)12-10-16(25)22-18(27)21-13-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,23,28)(H2,21,22,25,27)
InChIKeyFOCHQWPVDAZURW-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.90
Rot. Bonds5

About N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (PubChem CID 18134850) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
PubChem CID18134850
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESCC1CCCCC12NC(=O)N(CCC(=O)NC(=O)NCc1ccccc1)C2=O
InChIInChI=1S/C20H26N4O4/c1-14-7-5-6-11-20(14)17(26)24(19(28)23-20)12-10-16(25)22-18(27)21-13-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,23,28)(H2,21,22,25,27)
InChIKeyFOCHQWPVDAZURW-UHFFFAOYSA-N
XLogP1.90
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(benzylcarbamoyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703371
N-(2-benzoylphenyl)-3-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propanamide
CID 51928888
(5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7565636
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-(benzylsulfamoyl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55726823
N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55484732
N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide
CID 55484731
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide
CID 51647046
N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide
CID 24674218
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 9437314
N-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 48501803

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The IUPAC name of N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (CID 18134850) is N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The canonical SMILES for N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is CC1CCCCC12NC(=O)N(CCC(=O)NC(=O)NCc1ccccc1)C2=O.
What is the InChIKey of N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The InChIKey is FOCHQWPVDAZURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-14-7-5-6-11-20(14)17(26)24(19(28)23-20)12-10-16(25)22-18(27)21-13-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,23,28)(H2,21,22,25,27).
What are the key properties of N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide has a molecular weight of 386.45 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is sourced from PubChem (CID 18134850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).