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

C22H30N4O4 — CID 55510281

IUPAC2-methyl-N-[4-[[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cc1
InChIInChI=1S/C22H30N4O4/c1-14(2)19(28)24-17-9-7-16(8-10-17)12-23-18(27)13-26-20(29)22(25-21(26)30)11-5-4-6-15(22)3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,30)
InChIKeyYEXYHJIAJPELGR-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.40
Rot. Bonds6

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

2-methyl-N-[4-[[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]propanamide (PubChem CID 55510281) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-methyl-N-[4-[[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]propanamide
PubChem CID55510281
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name2-methyl-N-[4-[[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cc1
InChIInChI=1S/C22H30N4O4/c1-14(2)19(28)24-17-9-7-16(8-10-17)12-23-18(27)13-26-20(29)22(25-21(26)30)11-5-4-6-15(22)3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,30)
InChIKeyYEXYHJIAJPELGR-UHFFFAOYSA-N
XLogP2.40
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.40
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-[(4-methoxyphenyl)methyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2490547
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-(4-iodophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 5103394
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methylphenyl)acetamide
CID 2703485
N-(4-butylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7181711
N-(4-butylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7181712
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4882264
N-[(4-methoxyphenyl)methyl]-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 48501803
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 11919510
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 11919509
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
N-[(2-chlorophenyl)methyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2530641

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]propanamide?
The IUPAC name of 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) is 2-methyl-N-[4-[[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(CNC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cc1.
What is the InChIKey of 2-methyl-N-[4-[[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]propanamide?
The InChIKey is YEXYHJIAJPELGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-14(2)19(28)24-17-9-7-16(8-10-17)12-23-18(27)13-26-20(29)22(25-21(26)30)11-5-4-6-15(22)3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,30).
What are the key properties of 2-methyl-N-[4-[[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]propanamide?
2-methyl-N-[4-[[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]propanamide has a molecular weight of 414.51 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]propanamide is sourced from PubChem (CID 55510281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).