N-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C23H32N4O3 — CID 30656543

IUPACN-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1N1CCCCCC1)C2=O
InChIInChI=1S/C23H32N4O3/c1-17-10-6-7-13-23(17)21(29)27(22(30)25-23)16-20(28)24-18-11-4-5-12-19(18)26-14-8-2-3-9-15-26/h4-5,11-12,17H,2-3,6-10,13-16H2,1H3,(H,24,28)(H,25,30)/t17-,23-/m1/s1
InChIKeyDYRUBNIAANAYPN-UZUQRXQVSA-N
MW412.53 g/mol
LogP3.51
Rot. Bonds4

About N-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 30656543) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID30656543
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1N1CCCCCC1)C2=O
InChIInChI=1S/C23H32N4O3/c1-17-10-6-7-13-23(17)21(29)27(22(30)25-23)16-20(28)24-18-11-4-5-12-19(18)26-14-8-2-3-9-15-26/h4-5,11-12,17H,2-3,6-10,13-16H2,1H3,(H,24,28)(H,25,30)/t17-,23-/m1/s1
InChIKeyDYRUBNIAANAYPN-UZUQRXQVSA-N
XLogP3.51
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 40881474
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-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 46436703
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2090503
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 56530742
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 51177673
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-chloroanilino)-2-oxoethyl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7480009

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 30656543) is N-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1N1CCCCCC1)C2=O.
What is the InChIKey of N-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is DYRUBNIAANAYPN-UZUQRXQVSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-17-10-6-7-13-23(17)21(29)27(22(30)25-23)16-20(28)24-18-11-4-5-12-19(18)26-14-8-2-3-9-15-26/h4-5,11-12,17H,2-3,6-10,13-16H2,1H3,(H,24,28)(H,25,30)/t17-,23-/m1/s1.
What are the key properties of N-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 412.53 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 30656543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).