N-butan-2-yl-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C32H36N4O3 — CID 3489643

IUPACN-butan-2-yl-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCCC(C)NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1=O
InChIInChI=1S/C32H36N4O3/c1-3-24(2)33-29(37)22-35-23-36(28-12-8-5-9-13-28)32(31(35)39)18-20-34(21-19-32)30(38)27-16-14-26(15-17-27)25-10-6-4-7-11-25/h4-17,24H,3,18-23H2,1-2H3,(H,33,37)
InChIKeyAXEFCFRYYIERNH-UHFFFAOYSA-N
MW524.67 g/mol
LogP4.55
Rot. Bonds7

About N-butan-2-yl-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

N-butan-2-yl-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 3489643) has the molecular formula C32H36N4O3 and a molecular weight of 524.67 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
PubChem CID3489643
Molecular FormulaC32H36N4O3
Molecular Weight524.67 g/mol
Exact Mass524.28
IUPAC NameN-butan-2-yl-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCCC(C)NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1=O
InChIInChI=1S/C32H36N4O3/c1-3-24(2)33-29(37)22-35-23-36(28-12-8-5-9-13-28)32(31(35)39)18-20-34(21-19-32)30(38)27-16-14-26(15-17-27)25-10-6-4-7-11-25/h4-17,24H,3,18-23H2,1-2H3,(H,33,37)
InChIKeyAXEFCFRYYIERNH-UHFFFAOYSA-N
XLogP4.55
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.67
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 3489643) is N-butan-2-yl-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is CCC(C)NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1=O.
What is the InChIKey of N-butan-2-yl-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is AXEFCFRYYIERNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O3/c1-3-24(2)33-29(37)22-35-23-36(28-12-8-5-9-13-28)32(31(35)39)18-20-34(21-19-32)30(38)27-16-14-26(15-17-27)25-10-6-4-7-11-25/h4-17,24H,3,18-23H2,1-2H3,(H,33,37).
What are the key properties of N-butan-2-yl-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
N-butan-2-yl-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 524.67 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 3489643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).