N-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride

C19H33ClN4O3 — CID 119536748

IUPACN-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)NCCC1CCNC1)C2=O.Cl
InChIInChI=1S/C19H32N4O3.ClH/c1-13-8-18(2,3)12-19(9-13)16(25)23(17(26)22-19)11-15(24)21-7-5-14-4-6-20-10-14;/h13-14,20H,4-12H2,1-3H3,(H,21,24)(H,22,26);1H
InChIKeyPZFPKTNISAINNS-UHFFFAOYSA-N
MW400.95 g/mol
LogP1.66
Rot. Bonds5

About N-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride

N-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride (PubChem CID 119536748) has the molecular formula C19H33ClN4O3 and a molecular weight of 400.95 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
PubChem CID119536748
Molecular FormulaC19H33ClN4O3
Molecular Weight400.95 g/mol
Exact Mass400.22
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)NCCC1CCNC1)C2=O.Cl
InChIInChI=1S/C19H32N4O3.ClH/c1-13-8-18(2,3)12-19(9-13)16(25)23(17(26)22-19)11-15(24)21-7-5-14-4-6-20-10-14;/h13-14,20H,4-12H2,1-3H3,(H,21,24)(H,22,26);1H
InChIKeyPZFPKTNISAINNS-UHFFFAOYSA-N
XLogP1.66
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 51.66
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

2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534048
N-(2-methylsulfanylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 102554226
N-[(2R)-2-(ethylamino)propyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 120651150
N-cyclopropyl-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25388631
N-pentan-3-yl-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41012688
N-(1-amino-4-methylpentan-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119587792
N-cycloheptyl-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25401084
N-(4-methylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2486566
N-(4-acetamidophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18775895
N-[2-(2-fluorophenyl)ethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51177061
N-(pyridin-4-ylmethyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 40713787
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119559360

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride (CID 119536748) is N-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)NCCC1CCNC1)C2=O.Cl.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
The InChIKey is PZFPKTNISAINNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3.ClH/c1-13-8-18(2,3)12-19(9-13)16(25)23(17(26)22-19)11-15(24)21-7-5-14-4-6-20-10-14;/h13-14,20H,4-12H2,1-3H3,(H,21,24)(H,22,26);1H.
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
N-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride has a molecular weight of 400.95 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119536748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).