N,N-diethyl-4-methyl-7-oxo-2,2,6-triphenyl-5,6-diazaspiro[2.4]hept-4-ene-1-carboxamide

C29H29N3O2 — CID 25149405

IUPACN,N-diethyl-4-methyl-7-oxo-2,2,6-triphenyl-5,6-diazaspiro[2.4]hept-4-ene-1-carboxamide
SMILESCCN(CC)C(=O)C1C2(C(=O)N(c3ccccc3)N=C2C)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29N3O2/c1-4-31(5-2)26(33)25-28(21(3)30-32(27(28)34)24-19-13-8-14-20-24)29(25,22-15-9-6-10-16-22)23-17-11-7-12-18-23/h6-20,25H,4-5H2,1-3H3
InChIKeyVYYYMZWAMJVQSG-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.88
Rot. Bonds6

About N,N-diethyl-4-methyl-7-oxo-2,2,6-triphenyl-5,6-diazaspiro[2.4]hept-4-ene-1-carboxamide

N,N-diethyl-4-methyl-7-oxo-2,2,6-triphenyl-5,6-diazaspiro[2.4]hept-4-ene-1-carboxamide (PubChem CID 25149405) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-7-oxo-2,2,6-triphenyl-5,6-diazaspiro[2.4]hept-4-ene-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-7-oxo-2,2,6-triphenyl-5,6-diazaspiro[2.4]hept-4-ene-1-carboxamide
PubChem CID25149405
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC NameN,N-diethyl-4-methyl-7-oxo-2,2,6-triphenyl-5,6-diazaspiro[2.4]hept-4-ene-1-carboxamide
SMILESCCN(CC)C(=O)C1C2(C(=O)N(c3ccccc3)N=C2C)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29N3O2/c1-4-31(5-2)26(33)25-28(21(3)30-32(27(28)34)24-19-13-8-14-20-24)29(25,22-15-9-6-10-16-22)23-17-11-7-12-18-23/h6-20,25H,4-5H2,1-3H3
InChIKeyVYYYMZWAMJVQSG-UHFFFAOYSA-N
XLogP4.88
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-7-oxo-2,2,6-triphenyl-5,6-diazaspiro[2.4]hept-4-ene-1-carboxamide?
The IUPAC name of N,N-diethyl-4-methyl-7-oxo-2,2,6-triphenyl-5,6-diazaspiro[2.4]hept-4-ene-1-carboxamide (CID 25149405) is N,N-diethyl-4-methyl-7-oxo-2,2,6-triphenyl-5,6-diazaspiro[2.4]hept-4-ene-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-methyl-7-oxo-2,2,6-triphenyl-5,6-diazaspiro[2.4]hept-4-ene-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-methyl-7-oxo-2,2,6-triphenyl-5,6-diazaspiro[2.4]hept-4-ene-1-carboxamide is CCN(CC)C(=O)C1C2(C(=O)N(c3ccccc3)N=C2C)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diethyl-4-methyl-7-oxo-2,2,6-triphenyl-5,6-diazaspiro[2.4]hept-4-ene-1-carboxamide?
The InChIKey is VYYYMZWAMJVQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-4-31(5-2)26(33)25-28(21(3)30-32(27(28)34)24-19-13-8-14-20-24)29(25,22-15-9-6-10-16-22)23-17-11-7-12-18-23/h6-20,25H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-methyl-7-oxo-2,2,6-triphenyl-5,6-diazaspiro[2.4]hept-4-ene-1-carboxamide?
N,N-diethyl-4-methyl-7-oxo-2,2,6-triphenyl-5,6-diazaspiro[2.4]hept-4-ene-1-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-7-oxo-2,2,6-triphenyl-5,6-diazaspiro[2.4]hept-4-ene-1-carboxamide is sourced from PubChem (CID 25149405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).