N-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride

C17H29ClN4O3 — CID 119609686

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C17H28N4O3.ClH/c18-10-12-6-2-3-7-13(12)19-14(22)11-21-15(23)17(20-16(21)24)8-4-1-5-9-17;/h12-13H,1-11,18H2,(H,19,22)(H,20,24);1H
InChIKeyNPWPPLNNUDXBLK-UHFFFAOYSA-N
MW372.90 g/mol
LogP1.30
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride (PubChem CID 119609686) has the molecular formula C17H29ClN4O3 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
PubChem CID119609686
Molecular FormulaC17H29ClN4O3
Molecular Weight372.90 g/mol
Exact Mass372.19
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C17H28N4O3.ClH/c18-10-12-6-2-3-7-13(12)19-14(22)11-21-15(23)17(20-16(21)24)8-4-1-5-9-17;/h12-13H,1-11,18H2,(H,19,22)(H,20,24);1H
InChIKeyNPWPPLNNUDXBLK-UHFFFAOYSA-N
XLogP1.30
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 51.30
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-[2-(aminomethyl)cyclohexyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119610181
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119601938
N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119611543
N-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 119602035
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylcyclohexyl)acetamide
CID 17433534
N-cycloheptyl-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 51138945
N-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride
CID 119611096
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide
CID 96540121
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103860271
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyrrolidin-3-ylacetamide
CID 119450197
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 7043957
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7180891

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride (CID 119609686) is N-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
The InChIKey is NPWPPLNNUDXBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3.ClH/c18-10-12-6-2-3-7-13(12)19-14(22)11-21-15(23)17(20-16(21)24)8-4-1-5-9-17;/h12-13H,1-11,18H2,(H,19,22)(H,20,24);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 1.30, 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-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119609686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).