N-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride

C20H27ClN4O3 — CID 119611096

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
InChIInChI=1S/C20H26N4O3.ClH/c21-11-14-6-2-4-8-16(14)22-17(25)12-24-18(26)20(23-19(24)27)10-9-13-5-1-3-7-15(13)20;/h1,3,5,7,14,16H,2,4,6,8-12,21H2,(H,22,25)(H,23,27);1H
InChIKeyAGHJDQWVLWPTCA-UHFFFAOYSA-N
MW406.91 g/mol
LogP1.44
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride (PubChem CID 119611096) has the molecular formula C20H27ClN4O3 and a molecular weight of 406.91 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride
PubChem CID119611096
Molecular FormulaC20H27ClN4O3
Molecular Weight406.91 g/mol
Exact Mass406.18
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
InChIInChI=1S/C20H26N4O3.ClH/c21-11-14-6-2-4-8-16(14)22-17(25)12-24-18(26)20(23-19(24)27)10-9-13-5-1-3-7-15(13)20;/h1,3,5,7,14,16H,2,4,6,8-12,21H2,(H,22,25)(H,23,27);1H
InChIKeyAGHJDQWVLWPTCA-UHFFFAOYSA-N
XLogP1.44
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4010714
N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2680847
N-(2-amino-1-cyclohexylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride
CID 119590819
N-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119609686
4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119230357
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
N-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7240473
3'-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride
CID 119423548
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methoxyacetamide
CID 42925453
N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 17395661
N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119611543
4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]benzamide
CID 16552014

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride (CID 119611096) is N-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride?
The InChIKey is AGHJDQWVLWPTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3.ClH/c21-11-14-6-2-4-8-16(14)22-17(25)12-24-18(26)20(23-19(24)27)10-9-13-5-1-3-7-15(13)20;/h1,3,5,7,14,16H,2,4,6,8-12,21H2,(H,22,25)(H,23,27);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride has a molecular weight of 406.91 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride is sourced from PubChem (CID 119611096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).