2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide

C27H32N4O4 — CID 51486000

IUPAC2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C27H32N4O4/c1-19(20-12-6-5-7-13-20)28-24(33)21-14-8-9-15-22(21)29-23(32)18-31-25(34)27(30-26(31)35)16-10-3-2-4-11-17-27/h5-9,12-15,19H,2-4,10-11,16-18H2,1H3,(H,28,33)(H,29,32)(H,30,35)/t19-/m1/s1
InChIKeyGJLAPLSEVMTZTL-LJQANCHMSA-N
MW476.58 g/mol
LogP4.15
Rot. Bonds6

About 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide

2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 51486000) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID51486000
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C27H32N4O4/c1-19(20-12-6-5-7-13-20)28-24(33)21-14-8-9-15-22(21)29-23(32)18-31-25(34)27(30-26(31)35)16-10-3-2-4-11-17-27/h5-9,12-15,19H,2-4,10-11,16-18H2,1H3,(H,28,33)(H,29,32)(H,30,35)/t19-/m1/s1
InChIKeyGJLAPLSEVMTZTL-LJQANCHMSA-N
XLogP4.15
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.15
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

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
2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 41208643
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
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-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4842135
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-methylphenyl)acetamide
CID 2701809
2-[[2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 124823995
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-ethylphenyl)acetamide
CID 7170197
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2092207
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 7277395
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide
CID 2636302
2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 46436703

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide (CID 51486000) is 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O)c1ccccc1.
What is the InChIKey of 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is GJLAPLSEVMTZTL-LJQANCHMSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-19(20-12-6-5-7-13-20)28-24(33)21-14-8-9-15-22(21)29-23(32)18-31-25(34)27(30-26(31)35)16-10-3-2-4-11-17-27/h5-9,12-15,19H,2-4,10-11,16-18H2,1H3,(H,28,33)(H,29,32)(H,30,35)/t19-/m1/s1.
What are the key properties of 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 476.58 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 51486000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).