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

C30H31N3O2 — CID 71451634

IUPACN,N-diethyl-1,7-dimethyl-4-oxo-2,2,5-triphenyl-5,6-diazaspiro[2.4]hept-6-ene-1-carboxamide
SMILESCCN(CC)C(=O)C1(C)C2(C(=O)N(c3ccccc3)N=C2C)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H31N3O2/c1-5-32(6-2)26(34)28(4)29(22(3)31-33(27(29)35)25-20-14-9-15-21-25)30(28,23-16-10-7-11-17-23)24-18-12-8-13-19-24/h7-21H,5-6H2,1-4H3
InChIKeyYJPYDEVJXVQITF-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.27
Rot. Bonds6

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

N,N-diethyl-1,7-dimethyl-4-oxo-2,2,5-triphenyl-5,6-diazaspiro[2.4]hept-6-ene-1-carboxamide (PubChem CID 71451634) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N,N-diethyl-1,7-dimethyl-4-oxo-2,2,5-triphenyl-5,6-diazaspiro[2.4]hept-6-ene-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1,7-dimethyl-4-oxo-2,2,5-triphenyl-5,6-diazaspiro[2.4]hept-6-ene-1-carboxamide
PubChem CID71451634
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC NameN,N-diethyl-1,7-dimethyl-4-oxo-2,2,5-triphenyl-5,6-diazaspiro[2.4]hept-6-ene-1-carboxamide
SMILESCCN(CC)C(=O)C1(C)C2(C(=O)N(c3ccccc3)N=C2C)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H31N3O2/c1-5-32(6-2)26(34)28(4)29(22(3)31-33(27(29)35)25-20-14-9-15-21-25)30(28,23-16-10-7-11-17-23)24-18-12-8-13-19-24/h7-21H,5-6H2,1-4H3
InChIKeyYJPYDEVJXVQITF-UHFFFAOYSA-N
XLogP5.27
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,7-dimethyl-4-oxo-2,2,5-triphenyl-5,6-diazaspiro[2.4]hept-6-ene-1-carboxamide?
The IUPAC name of N,N-diethyl-1,7-dimethyl-4-oxo-2,2,5-triphenyl-5,6-diazaspiro[2.4]hept-6-ene-1-carboxamide (CID 71451634) is N,N-diethyl-1,7-dimethyl-4-oxo-2,2,5-triphenyl-5,6-diazaspiro[2.4]hept-6-ene-1-carboxamide.
What is the SMILES notation for N,N-diethyl-1,7-dimethyl-4-oxo-2,2,5-triphenyl-5,6-diazaspiro[2.4]hept-6-ene-1-carboxamide?
The canonical SMILES for N,N-diethyl-1,7-dimethyl-4-oxo-2,2,5-triphenyl-5,6-diazaspiro[2.4]hept-6-ene-1-carboxamide is CCN(CC)C(=O)C1(C)C2(C(=O)N(c3ccccc3)N=C2C)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diethyl-1,7-dimethyl-4-oxo-2,2,5-triphenyl-5,6-diazaspiro[2.4]hept-6-ene-1-carboxamide?
The InChIKey is YJPYDEVJXVQITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O2/c1-5-32(6-2)26(34)28(4)29(22(3)31-33(27(29)35)25-20-14-9-15-21-25)30(28,23-16-10-7-11-17-23)24-18-12-8-13-19-24/h7-21H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-1,7-dimethyl-4-oxo-2,2,5-triphenyl-5,6-diazaspiro[2.4]hept-6-ene-1-carboxamide?
N,N-diethyl-1,7-dimethyl-4-oxo-2,2,5-triphenyl-5,6-diazaspiro[2.4]hept-6-ene-1-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,7-dimethyl-4-oxo-2,2,5-triphenyl-5,6-diazaspiro[2.4]hept-6-ene-1-carboxamide is sourced from PubChem (CID 71451634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).