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

C20H29ClN4O3 — CID 120649218

IUPACN-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C20H28N4O3.ClH/c21-12-6-13-23(15-16-7-2-1-3-8-16)17(25)9-14-24-18(26)20(22-19(24)27)10-4-5-11-20;/h1-3,7-8H,4-6,9-15,21H2,(H,22,27);1H
InChIKeyLCBKCZMCTDJIAE-UHFFFAOYSA-N
MW408.93 g/mol
LogP2.04
Rot. Bonds8

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

N-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride (PubChem CID 120649218) has the molecular formula C20H29ClN4O3 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
PubChem CID120649218
Molecular FormulaC20H29ClN4O3
Molecular Weight408.93 g/mol
Exact Mass408.19
IUPAC NameN-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C20H28N4O3.ClH/c21-12-6-13-23(15-16-7-2-1-3-8-16)17(25)9-14-24-18(26)20(22-19(24)27)10-4-5-11-20;/h1-3,7-8H,4-6,9-15,21H2,(H,22,27);1H
InChIKeyLCBKCZMCTDJIAE-UHFFFAOYSA-N
XLogP2.04
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-ylpropanamide
CID 30100026
N-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 120648250
3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 75481374
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-ethylacetamide
CID 7610491
N-[(4-cyanophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)methyl]propanamide
CID 55993066
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 55982460
3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide
CID 30750351
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372
N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 120648461

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride (CID 120649218) is N-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride is Cl.NCCCN(Cc1ccccc1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride?
The InChIKey is LCBKCZMCTDJIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3.ClH/c21-12-6-13-23(15-16-7-2-1-3-8-16)17(25)9-14-24-18(26)20(22-19(24)27)10-4-5-11-20;/h1-3,7-8H,4-6,9-15,21H2,(H,22,27);1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 120649218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).