3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

C22H31N5O4 — CID 55490203

IUPAC3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESCc1cccc(NC(=O)CN(C)CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1C
InChIInChI=1S/C22H31N5O4/c1-15-8-7-9-17(16(15)2)23-19(29)14-26(3)13-10-18(28)25-27-20(30)22(24-21(27)31)11-5-4-6-12-22/h7-9H,4-6,10-14H2,1-3H3,(H,23,29)(H,24,31)(H,25,28)
InChIKeyNFEXZUJBKBHGKV-UHFFFAOYSA-N
MW429.52 g/mol
LogP1.85
Rot. Bonds7

About 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (PubChem CID 55490203) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.

Molecular Properties

Compound Name3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
PubChem CID55490203
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC Name3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESCc1cccc(NC(=O)CN(C)CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1C
InChIInChI=1S/C22H31N5O4/c1-15-8-7-9-17(16(15)2)23-19(29)14-26(3)13-10-18(28)25-27-20(30)22(24-21(27)31)11-5-4-6-12-22/h7-9H,4-6,10-14H2,1-3H3,(H,23,29)(H,24,31)(H,25,28)
InChIKeyNFEXZUJBKBHGKV-UHFFFAOYSA-N
XLogP1.85
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 43013195
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-methylphenyl)acetamide
CID 2701809
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide
CID 27056903
N-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide
CID 91832359
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55393685
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308
3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 24585914
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-(4-phenylcyclohexyl)amino]acetamide
CID 47547029
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylphenoxy)butanamide
CID 8873650
N-(2-chloro-4-methylphenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287929

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The IUPAC name of 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (CID 55490203) is 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.
What is the SMILES notation for 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The canonical SMILES for 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is Cc1cccc(NC(=O)CN(C)CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1C.
What is the InChIKey of 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The InChIKey is NFEXZUJBKBHGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-15-8-7-9-17(16(15)2)23-19(29)14-26(3)13-10-18(28)25-27-20(30)22(24-21(27)31)11-5-4-6-12-22/h7-9H,4-6,10-14H2,1-3H3,(H,23,29)(H,24,31)(H,25,28).
What are the key properties of 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide has a molecular weight of 429.52 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is sourced from PubChem (CID 55490203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).