N-tert-butyl-3-[2-(4-ethylanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C28H37N5O3 — CID 3408881

IUPACN-tert-butyl-3-[2-(4-ethylanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCCc1ccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)NC(C)(C)C)CC3)C2=O)cc1
InChIInChI=1S/C28H37N5O3/c1-5-21-11-13-22(14-12-21)29-24(34)19-32-20-33(23-9-7-6-8-10-23)28(25(32)35)15-17-31(18-16-28)26(36)30-27(2,3)4/h6-14H,5,15-20H2,1-4H3,(H,29,34)(H,30,36)
InChIKeyPPISSNYQKUWINY-UHFFFAOYSA-N
MW491.64 g/mol
LogP3.84
Rot. Bonds5

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

N-tert-butyl-3-[2-(4-ethylanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 3408881) has the molecular formula C28H37N5O3 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-tert-butyl-3-[2-(4-ethylanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-(4-ethylanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID3408881
Molecular FormulaC28H37N5O3
Molecular Weight491.64 g/mol
Exact Mass491.29
IUPAC NameN-tert-butyl-3-[2-(4-ethylanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCCc1ccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)NC(C)(C)C)CC3)C2=O)cc1
InChIInChI=1S/C28H37N5O3/c1-5-21-11-13-22(14-12-21)29-24(34)19-32-20-33(23-9-7-6-8-10-23)28(25(32)35)15-17-31(18-16-28)26(36)30-27(2,3)4/h6-14H,5,15-20H2,1-4H3,(H,29,34)(H,30,36)
InChIKeyPPISSNYQKUWINY-UHFFFAOYSA-N
XLogP3.84
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-tert-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 24717134
N-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3885077
N-butyl-3-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3290735
2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3,4-dimethylphenyl)acetamide
CID 4132802
3-[2-(3-chloroanilino)-2-oxoethyl]-N-(3-chlorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 4296396
3-[2-(butan-2-ylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 42766548
N-(4-fluorophenyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 4266289
2-[8-(4-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(4-methoxyphenyl)acetamide
CID 4186601
3-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(4-nitrophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 42771117
2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide
CID 4517535

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-(4-ethylanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-tert-butyl-3-[2-(4-ethylanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 3408881) is N-tert-butyl-3-[2-(4-ethylanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[2-(4-ethylanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-tert-butyl-3-[2-(4-ethylanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is CCc1ccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)NC(C)(C)C)CC3)C2=O)cc1.
What is the InChIKey of N-tert-butyl-3-[2-(4-ethylanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is PPISSNYQKUWINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O3/c1-5-21-11-13-22(14-12-21)29-24(34)19-32-20-33(23-9-7-6-8-10-23)28(25(32)35)15-17-31(18-16-28)26(36)30-27(2,3)4/h6-14H,5,15-20H2,1-4H3,(H,29,34)(H,30,36).
What are the key properties of N-tert-butyl-3-[2-(4-ethylanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
N-tert-butyl-3-[2-(4-ethylanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-(4-ethylanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3408881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).