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

C28H36N4O4 — CID 3963552

IUPACN-(3-ethoxypropyl)-2-[8-(2-methylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCCOCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccccc3C)CC2)C1=O
InChIInChI=1S/C28H36N4O4/c1-3-36-19-9-16-29-25(33)20-31-21-32(23-11-5-4-6-12-23)28(27(31)35)14-17-30(18-15-28)26(34)24-13-8-7-10-22(24)2/h4-8,10-13H,3,9,14-21H2,1-2H3,(H,29,33)
InChIKeyUVWNMOVSASIJCT-UHFFFAOYSA-N
MW492.62 g/mol
LogP2.82
Rot. Bonds9

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

N-(3-ethoxypropyl)-2-[8-(2-methylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 3963552) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[8-(2-methylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[8-(2-methylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
PubChem CID3963552
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC NameN-(3-ethoxypropyl)-2-[8-(2-methylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCCOCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccccc3C)CC2)C1=O
InChIInChI=1S/C28H36N4O4/c1-3-36-19-9-16-29-25(33)20-31-21-32(23-11-5-4-6-12-23)28(27(31)35)14-17-30(18-15-28)26(34)24-13-8-7-10-22(24)2/h4-8,10-13H,3,9,14-21H2,1-2H3,(H,29,33)
InChIKeyUVWNMOVSASIJCT-UHFFFAOYSA-N
XLogP2.82
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide
CID 42778590
N-(3-ethoxypropyl)-2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 5131044
N-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 42773682
N-(3-ethoxypropyl)-2-(8-nonanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 42773681
N-(3-ethoxypropyl)-2-[8-(4-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 42773672
2-[8-(2-fluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide
CID 5149743
3-[2-(3-methoxypropylamino)-2-oxoethyl]-4-oxo-N,1-diphenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 42771014
2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide
CID 3992341
N-(3,4-dimethylphenyl)-2-[8-(naphthalene-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3364866
N-(3-methoxypropyl)-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)benzoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 4258349
2-[8-(4-hexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide
CID 5025550
2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide
CID 5001522

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[8-(2-methylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[8-(2-methylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 3963552) is N-(3-ethoxypropyl)-2-[8-(2-methylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[8-(2-methylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[8-(2-methylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is CCOCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccccc3C)CC2)C1=O.
What is the InChIKey of N-(3-ethoxypropyl)-2-[8-(2-methylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is UVWNMOVSASIJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-3-36-19-9-16-29-25(33)20-31-21-32(23-11-5-4-6-12-23)28(27(31)35)14-17-30(18-15-28)26(34)24-13-8-7-10-22(24)2/h4-8,10-13H,3,9,14-21H2,1-2H3,(H,29,33).
What are the key properties of N-(3-ethoxypropyl)-2-[8-(2-methylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
N-(3-ethoxypropyl)-2-[8-(2-methylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 492.62 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[8-(2-methylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 3963552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).