3-[2-(dimethylamino)ethyl]-1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C28H37N5O2 — CID 26142712

IUPAC3-[2-(dimethylamino)ethyl]-1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1ccc3c(c1)c1ccccc1n3CC)CC2
InChIInChI=1S/C28H37N5O2/c1-5-31-24-10-8-7-9-22(24)23-19-21(11-12-25(23)31)20-30-15-13-28(14-16-30)26(34)32(18-17-29(3)4)27(35)33(28)6-2/h7-12,19H,5-6,13-18,20H2,1-4H3
InChIKeyMJAGWNAOHXBBIL-UHFFFAOYSA-N
MW475.64 g/mol
LogP3.99
Rot. Bonds7

About 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[2-(dimethylamino)ethyl]-1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26142712) has the molecular formula C28H37N5O2 and a molecular weight of 475.64 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26142712
Molecular FormulaC28H37N5O2
Molecular Weight475.64 g/mol
Exact Mass475.29
IUPAC Name3-[2-(dimethylamino)ethyl]-1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1ccc3c(c1)c1ccccc1n3CC)CC2
InChIInChI=1S/C28H37N5O2/c1-5-31-24-10-8-7-9-22(24)23-19-21(11-12-25(23)31)20-30-15-13-28(14-16-30)26(34)32(18-17-29(3)4)27(35)33(28)6-2/h7-12,19H,5-6,13-18,20H2,1-4H3
InChIKeyMJAGWNAOHXBBIL-UHFFFAOYSA-N
XLogP3.99
TPSA52.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.64
LogP ≤ 53.99
H-Bond Donors ≤ 50
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 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26142712) is 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1ccc3c(c1)c1ccccc1n3CC)CC2.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is MJAGWNAOHXBBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O2/c1-5-31-24-10-8-7-9-22(24)23-19-21(11-12-25(23)31)20-30-15-13-28(14-16-30)26(34)32(18-17-29(3)4)27(35)33(28)6-2/h7-12,19H,5-6,13-18,20H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[2-(dimethylamino)ethyl]-1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 475.64 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26142712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).