N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

C17H22N4O3 — CID 119548393

IUPACN-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESNc1ccc(CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C17H22N4O3/c18-13-5-3-12(4-6-13)7-10-19-14(22)11-21-15(23)17(20-16(21)24)8-1-2-9-17/h3-6H,1-2,7-11,18H2,(H,19,22)(H,20,24)
InChIKeyYBGMDYBCMSJBEQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.79
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 119548393) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID119548393
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESNc1ccc(CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C17H22N4O3/c18-13-5-3-12(4-6-13)7-10-19-14(22)11-21-15(23)17(20-16(21)24)8-1-2-9-17/h3-6H,1-2,7-11,18H2,(H,19,22)(H,20,24)
InChIKeyYBGMDYBCMSJBEQ-UHFFFAOYSA-N
XLogP0.79
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119549201
N-[2-(4-chlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2578262
N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
CID 119549660
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7916472
N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119405447
N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119548530
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 9453956
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8949115
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pentylacetamide
CID 34317792
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2090297

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 119548393) is N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is Nc1ccc(CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is YBGMDYBCMSJBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c18-13-5-3-12(4-6-13)7-10-19-14(22)11-21-15(23)17(20-16(21)24)8-1-2-9-17/h3-6H,1-2,7-11,18H2,(H,19,22)(H,20,24).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide has a molecular weight of 330.39 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 119548393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).