N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(octylamino)acetamide

C21H30N4O3 — CID 145475245

IUPACN-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(octylamino)acetamide
SMILESCCCCCCCCNCC(=O)Nc1ccc2c(c1)CC1(C2)NC(=O)NC1=O
InChIInChI=1S/C21H30N4O3/c1-2-3-4-5-6-7-10-22-14-18(26)23-17-9-8-15-12-21(13-16(15)11-17)19(27)24-20(28)25-21/h8-9,11,22H,2-7,10,12-14H2,1H3,(H,23,26)(H2,24,25,27,28)
InChIKeyHOOKLHHTGXQBNW-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.25
Rot. Bonds10

About N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(octylamino)acetamide

N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(octylamino)acetamide (PubChem CID 145475245) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(octylamino)acetamide.

Molecular Properties

Compound NameN-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(octylamino)acetamide
PubChem CID145475245
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(octylamino)acetamide
SMILESCCCCCCCCNCC(=O)Nc1ccc2c(c1)CC1(C2)NC(=O)NC1=O
InChIInChI=1S/C21H30N4O3/c1-2-3-4-5-6-7-10-22-14-18(26)23-17-9-8-15-12-21(13-16(15)11-17)19(27)24-20(28)25-21/h8-9,11,22H,2-7,10,12-14H2,1H3,(H,23,26)(H2,24,25,27,28)
InChIKeyHOOKLHHTGXQBNW-UHFFFAOYSA-N
XLogP2.25
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389
N-(4-fluorophenyl)-2-(pentylamino)acetamide
CID 28569105
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-indol-1-ylacetamide
CID 10429483
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 25032459
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-3,5-dimethoxybenzamide
CID 10407462
2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]-N-ethylacetamide;molecular hydrogen
CID 159710579
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[(2S)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide;molecular hydrogen
CID 158541982
2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen
CID 159596995
2-(hexadecylamino)-N-naphthalen-2-ylacetamide
CID 54808912
2-(2-cyclopentyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide
CID 25032546
methyl 2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazin-2-yl]acetate
CID 25032639

Frequently Asked Questions

What is the IUPAC name of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(octylamino)acetamide?
The IUPAC name of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(octylamino)acetamide (CID 145475245) is N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(octylamino)acetamide.
What is the SMILES notation for N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(octylamino)acetamide?
The canonical SMILES for N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(octylamino)acetamide is CCCCCCCCNCC(=O)Nc1ccc2c(c1)CC1(C2)NC(=O)NC1=O.
What is the InChIKey of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(octylamino)acetamide?
The InChIKey is HOOKLHHTGXQBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-2-3-4-5-6-7-10-22-14-18(26)23-17-9-8-15-12-21(13-16(15)11-17)19(27)24-20(28)25-21/h8-9,11,22H,2-7,10,12-14H2,1H3,(H,23,26)(H2,24,25,27,28).
What are the key properties of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(octylamino)acetamide?
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(octylamino)acetamide has a molecular weight of 386.50 g/mol, XLogP of 2.25, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(octylamino)acetamide is sourced from PubChem (CID 145475245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).