2-(4-methylanilino)-N'-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]acetohydrazide

C20H27N5O4 — CID 18228988

IUPAC2-(4-methylanilino)-N'-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]acetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1
InChIInChI=1S/C20H27N5O4/c1-14-6-8-15(9-7-14)21-12-16(26)22-23-17(27)13-25-18(28)20(24(2)19(25)29)10-4-3-5-11-20/h6-9,21H,3-5,10-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyOVIJADCZSAWAOR-UHFFFAOYSA-N
MW401.47 g/mol
LogP1.15
Rot. Bonds5

About 2-(4-methylanilino)-N'-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]acetohydrazide

2-(4-methylanilino)-N'-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]acetohydrazide (PubChem CID 18228988) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(4-methylanilino)-N'-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-methylanilino)-N'-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]acetohydrazide
PubChem CID18228988
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name2-(4-methylanilino)-N'-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]acetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1
InChIInChI=1S/C20H27N5O4/c1-14-6-8-15(9-7-14)21-12-16(26)22-23-17(27)13-25-18(28)20(24(2)19(25)29)10-4-3-5-11-20/h6-9,21H,3-5,10-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyOVIJADCZSAWAOR-UHFFFAOYSA-N
XLogP1.15
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-phenylphenyl)acetamide
CID 7850067
N-(2,5-dimethylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850304
N-(3-fluoro-4-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 26685423
N-(3,4-difluorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850253
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N'-[2-(4-methylanilino)acetyl]butanehydrazide
CID 55377513
N-(3-chloro-4-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7535920
N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 34947284
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4793877
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 31544067
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 86925590
N-(3-acetamidophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850065
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 56761630

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N'-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]acetohydrazide?
The IUPAC name of 2-(4-methylanilino)-N'-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]acetohydrazide (CID 18228988) is 2-(4-methylanilino)-N'-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-methylanilino)-N'-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-methylanilino)-N'-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]acetohydrazide is Cc1ccc(NCC(=O)NNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1.
What is the InChIKey of 2-(4-methylanilino)-N'-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]acetohydrazide?
The InChIKey is OVIJADCZSAWAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-14-6-8-15(9-7-14)21-12-16(26)22-23-17(27)13-25-18(28)20(24(2)19(25)29)10-4-3-5-11-20/h6-9,21H,3-5,10-13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 2-(4-methylanilino)-N'-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]acetohydrazide?
2-(4-methylanilino)-N'-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]acetohydrazide has a molecular weight of 401.47 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N'-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]acetohydrazide is sourced from PubChem (CID 18228988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).