N-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride

C18H31ClN4O3 — CID 119590492

IUPACN-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
SMILESCC(C(=O)NC(CN)C1CCCCC1)N1C(=O)NC2(CCCC2)C1=O.Cl
InChIInChI=1S/C18H30N4O3.ClH/c1-12(15(23)20-14(11-19)13-7-3-2-4-8-13)22-16(24)18(21-17(22)25)9-5-6-10-18;/h12-14H,2-11,19H2,1H3,(H,20,23)(H,21,25);1H
InChIKeyJOVWHUXLKXXHPC-UHFFFAOYSA-N
MW386.92 g/mol
LogP1.69
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride (PubChem CID 119590492) has the molecular formula C18H31ClN4O3 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
PubChem CID119590492
Molecular FormulaC18H31ClN4O3
Molecular Weight386.92 g/mol
Exact Mass386.21
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
SMILESCC(C(=O)NC(CN)C1CCCCC1)N1C(=O)NC2(CCCC2)C1=O.Cl
InChIInChI=1S/C18H30N4O3.ClH/c1-12(15(23)20-14(11-19)13-7-3-2-4-8-13)22-16(24)18(21-17(22)25)9-5-6-10-18;/h12-14H,2-11,19H2,1H3,(H,20,23)(H,21,25);1H
InChIKeyJOVWHUXLKXXHPC-UHFFFAOYSA-N
XLogP1.69
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 51.69
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-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119590379
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119570259
(2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 52866558
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120947256
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
CID 51664154
N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119548530
N-(2-amino-1-cyclohexylethyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide;hydrochloride
CID 119591097
N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
CID 119590156
3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 7916573
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-naphthalen-1-ylpropanamide
CID 112775763
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 52513400
3-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 120809899

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride (CID 119590492) is N-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride is CC(C(=O)NC(CN)C1CCCCC1)N1C(=O)NC2(CCCC2)C1=O.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride?
The InChIKey is JOVWHUXLKXXHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3.ClH/c1-12(15(23)20-14(11-19)13-7-3-2-4-8-13)22-16(24)18(21-17(22)25)9-5-6-10-18;/h12-14H,2-11,19H2,1H3,(H,20,23)(H,21,25);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119590492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).