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

C22H29N3O4 — CID 7265176

IUPAC3-methyl-N-[4-[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1
InChIInChI=1S/C22H29N3O4/c1-14(2)12-19(27)23-17-9-7-16(8-10-17)18(26)13-25-20(28)22(24-21(25)29)11-5-4-6-15(22)3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,23,27)(H,24,29)/t15-,22+/m0/s1
InChIKeySOXLZLNCWUHZTN-OYHNWAKOSA-N
MW399.49 g/mol
LogP3.35
Rot. Bonds6

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

3-methyl-N-[4-[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]butanamide (PubChem CID 7265176) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-methyl-N-[4-[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]butanamide
PubChem CID7265176
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name3-methyl-N-[4-[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1
InChIInChI=1S/C22H29N3O4/c1-14(2)12-19(27)23-17-9-7-16(8-10-17)18(26)13-25-20(28)22(24-21(25)29)11-5-4-6-15(22)3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,23,27)(H,24,29)/t15-,22+/m0/s1
InChIKeySOXLZLNCWUHZTN-OYHNWAKOSA-N
XLogP3.35
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.35
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

N-[4-[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]hexanamide
CID 7181609
N-(4-acetylphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2585170
N-(4-acetylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2585168
(5S,6S)-3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 11888805
(5S,6R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680984
methyl 4-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate
CID 7639907
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methylphenyl)acetamide
CID 2703485
N-(4-iodophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 5103394
(5R,6S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680971
(5S,6R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680977
N-[(1R)-1-[4-[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]ethyl]acetamide
CID 9474372
ethyl 4-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate
CID 2585146

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]butanamide (CID 7265176) is 3-methyl-N-[4-[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]butanamide is CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1.
What is the InChIKey of 3-methyl-N-[4-[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]butanamide?
The InChIKey is SOXLZLNCWUHZTN-OYHNWAKOSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-14(2)12-19(27)23-17-9-7-16(8-10-17)18(26)13-25-20(28)22(24-21(25)29)11-5-4-6-15(22)3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,23,27)(H,24,29)/t15-,22+/m0/s1.
What are the key properties of 3-methyl-N-[4-[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]butanamide?
3-methyl-N-[4-[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]butanamide has a molecular weight of 399.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]butanamide is sourced from PubChem (CID 7265176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).