N-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C29H30FN5O3 — CID 3885077

IUPACN-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NCc3ccccc3)CC2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C29H30FN5O3/c30-23-11-13-24(14-12-23)32-26(36)20-34-21-35(25-9-5-2-6-10-25)29(27(34)37)15-17-33(18-16-29)28(38)31-19-22-7-3-1-4-8-22/h1-14H,15-21H2,(H,31,38)(H,32,36)
InChIKeyPGBKKAQKYDUTJA-UHFFFAOYSA-N
MW515.59 g/mol
LogP3.81
Rot. Bonds6

About N-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

N-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 3885077) has the molecular formula C29H30FN5O3 and a molecular weight of 515.59 g/mol. Its IUPAC name is N-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID3885077
Molecular FormulaC29H30FN5O3
Molecular Weight515.59 g/mol
Exact Mass515.23
IUPAC NameN-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NCc3ccccc3)CC2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C29H30FN5O3/c30-23-11-13-24(14-12-23)32-26(36)20-34-21-35(25-9-5-2-6-10-25)29(27(34)37)15-17-33(18-16-29)28(38)31-19-22-7-3-1-4-8-22/h1-14H,15-21H2,(H,31,38)(H,32,36)
InChIKeyPGBKKAQKYDUTJA-UHFFFAOYSA-N
XLogP3.81
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.59
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-(benzylamino)-2-oxoethyl]-N-(4-ethylphenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3619703
2-[8-(4-ethylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(4-fluorophenyl)acetamide
CID 3531538
2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(4-fluorophenyl)acetamide
CID 3936917
3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 5100018
2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 3530304
N-(4-fluorophenyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 4266289
N-[2,6-di(propan-2-yl)phenyl]-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3940733
N-[(4-fluorophenyl)methyl]-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 5012251
N-tert-butyl-3-[2-(4-ethylanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3408881
2-[8-(1,3-benzodioxole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(4-fluorophenyl)acetamide
CID 3372002
N-butyl-3-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3290735
3-[2-(3-chloroanilino)-2-oxoethyl]-N-(3-chlorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 4296396

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 3885077) is N-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NCc3ccccc3)CC2)C1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is PGBKKAQKYDUTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O3/c30-23-11-13-24(14-12-23)32-26(36)20-34-21-35(25-9-5-2-6-10-25)29(27(34)37)15-17-33(18-16-29)28(38)31-19-22-7-3-1-4-8-22/h1-14H,15-21H2,(H,31,38)(H,32,36).
What are the key properties of N-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
N-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 515.59 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3885077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).