N-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C21H36N4O3 — CID 119602035

IUPACN-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC1CCCC1CN)C2=O
InChIInChI=1S/C21H36N4O3/c1-4-20(2,3)15-8-10-21(11-9-15)18(27)25(19(28)24-21)13-17(26)23-16-7-5-6-14(16)12-22/h14-16H,4-13,22H2,1-3H3,(H,23,26)(H,24,28)
InChIKeyALIJPQKTBXYSKU-UHFFFAOYSA-N
MW392.54 g/mol
LogP2.15
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 119602035) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID119602035
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC1CCCC1CN)C2=O
InChIInChI=1S/C21H36N4O3/c1-4-20(2,3)15-8-10-21(11-9-15)18(27)25(19(28)24-21)13-17(26)23-16-7-5-6-14(16)12-22/h14-16H,4-13,22H2,1-3H3,(H,23,26)(H,24,28)
InChIKeyALIJPQKTBXYSKU-UHFFFAOYSA-N
XLogP2.15
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 119602035) is N-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC1CCCC1CN)C2=O.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is ALIJPQKTBXYSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c1-4-20(2,3)15-8-10-21(11-9-15)18(27)25(19(28)24-21)13-17(26)23-16-7-5-6-14(16)12-22/h14-16H,4-13,22H2,1-3H3,(H,23,26)(H,24,28).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 392.54 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 119602035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).