2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide

C26H30N4O4 — CID 41192861

IUPAC2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccccc1
InChIInChI=1S/C26H30N4O4/c1-17-10-8-9-15-26(17)24(33)30(25(34)29-26)16-22(31)28-21-14-7-6-13-20(21)23(32)27-18(2)19-11-4-3-5-12-19/h3-7,11-14,17-18H,8-10,15-16H2,1-2H3,(H,27,32)(H,28,31)(H,29,34)/t17-,18-,26+/m0/s1
InChIKeyAJXNCACYRICWMK-QSAFDGGLSA-N
MW462.55 g/mol
LogP3.62
Rot. Bonds6

About 2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide

2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 41192861) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID41192861
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccccc1
InChIInChI=1S/C26H30N4O4/c1-17-10-8-9-15-26(17)24(33)30(25(34)29-26)16-22(31)28-21-14-7-6-13-20(21)23(32)27-18(2)19-11-4-3-5-12-19/h3-7,11-14,17-18H,8-10,15-16H2,1-2H3,(H,27,32)(H,28,31)(H,29,34)/t17-,18-,26+/m0/s1
InChIKeyAJXNCACYRICWMK-QSAFDGGLSA-N
XLogP3.62
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide with MolForge

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Related Compounds

2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4816565
2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 46436703
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7265457
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 51486000
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 40881474
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylphenyl)acetamide
CID 2703483
N-(2-bromophenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703598
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2090503
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 9437314
N-[2-(dimethylamino)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43063970
N-(2-tert-butylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2643710
2-[[2-[(3S)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2454039

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide (CID 41192861) is 2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccccc1.
What is the InChIKey of 2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is AJXNCACYRICWMK-QSAFDGGLSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-17-10-8-9-15-26(17)24(33)30(25(34)29-26)16-22(31)28-21-14-7-6-13-20(21)23(32)27-18(2)19-11-4-3-5-12-19/h3-7,11-14,17-18H,8-10,15-16H2,1-2H3,(H,27,32)(H,28,31)(H,29,34)/t17-,18-,26+/m0/s1.
What are the key properties of 2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 462.55 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 41192861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).