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

C26H40N4O4 — CID 5131044

IUPACN-(3-ethoxypropyl)-2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
SMILESCCCCCC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCCCOCC)CN2c1ccccc1
InChIInChI=1S/C26H40N4O4/c1-3-5-7-13-24(32)28-17-14-26(15-18-28)25(33)29(20-23(31)27-16-10-19-34-4-2)21-30(26)22-11-8-6-9-12-22/h6,8-9,11-12H,3-5,7,10,13-21H2,1-2H3,(H,27,31)
InChIKeyPXRDDPGQJORHHW-UHFFFAOYSA-N
MW472.63 g/mol
LogP2.78
Rot. Bonds12

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

N-(3-ethoxypropyl)-2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 5131044) has the molecular formula C26H40N4O4 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
PubChem CID5131044
Molecular FormulaC26H40N4O4
Molecular Weight472.63 g/mol
Exact Mass472.30
IUPAC NameN-(3-ethoxypropyl)-2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
SMILESCCCCCC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCCCOCC)CN2c1ccccc1
InChIInChI=1S/C26H40N4O4/c1-3-5-7-13-24(32)28-17-14-26(15-18-28)25(33)29(20-23(31)27-16-10-19-34-4-2)21-30(26)22-11-8-6-9-12-22/h6,8-9,11-12H,3-5,7,10,13-21H2,1-2H3,(H,27,31)
InChIKeyPXRDDPGQJORHHW-UHFFFAOYSA-N
XLogP2.78
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 52.78
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

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-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 42773682
2-(8-decanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
CID 42770977
N-(3-ethoxypropyl)-2-[8-(2-methylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3963552
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-(2-methylbutyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 3638117
2-(8-heptanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(2-methylbutyl)acetamide
CID 5220880
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-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(1-phenylethyl)acetamide
CID 4038360
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-heptanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3619702
N-(3,4-dimethylphenyl)-2-(8-nonanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 3536256
2-(8-decanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 4186547

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide (CID 5131044) is N-(3-ethoxypropyl)-2-(8-hexanoyl-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-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide is CCCCCC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCCCOCC)CN2c1ccccc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is PXRDDPGQJORHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O4/c1-3-5-7-13-24(32)28-17-14-26(15-18-28)25(33)29(20-23(31)27-16-10-19-34-4-2)21-30(26)22-11-8-6-9-12-22/h6,8-9,11-12H,3-5,7,10,13-21H2,1-2H3,(H,27,31).
What are the key properties of N-(3-ethoxypropyl)-2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?
N-(3-ethoxypropyl)-2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 472.63 g/mol, XLogP of 2.78, 12 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-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 5131044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).