2-[1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C26H31N5O3 — CID 26233538

IUPAC2-[1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1ccc3c(c1)c1ccccc1n3CC)CC2
InChIInChI=1S/C26H31N5O3/c1-3-29-21-8-6-5-7-19(21)20-15-18(9-10-22(20)29)16-28-13-11-26(12-14-28)24(33)30(17-23(27)32)25(34)31(26)4-2/h5-10,15H,3-4,11-14,16-17H2,1-2H3,(H2,27,32)
InChIKeyKEDCEJPFUOGXGU-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.92
Rot. Bonds6

About 2-[1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

2-[1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 26233538) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-[1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
PubChem CID26233538
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name2-[1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1ccc3c(c1)c1ccccc1n3CC)CC2
InChIInChI=1S/C26H31N5O3/c1-3-29-21-8-6-5-7-19(21)20-15-18(9-10-22(20)29)16-28-13-11-26(12-14-28)24(33)30(17-23(27)32)25(34)31(26)4-2/h5-10,15H,3-4,11-14,16-17H2,1-2H3,(H2,27,32)
InChIKeyKEDCEJPFUOGXGU-UHFFFAOYSA-N
XLogP2.92
TPSA91.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of 2-[1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 26233538) is 2-[1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for 2-[1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for 2-[1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1ccc3c(c1)c1ccccc1n3CC)CC2.
What is the InChIKey of 2-[1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is KEDCEJPFUOGXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-3-29-21-8-6-5-7-19(21)20-15-18(9-10-22(20)29)16-28-13-11-26(12-14-28)24(33)30(17-23(27)32)25(34)31(26)4-2/h5-10,15H,3-4,11-14,16-17H2,1-2H3,(H2,27,32).
What are the key properties of 2-[1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
2-[1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 461.57 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 26233538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).