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

C26H31ClN4O3 — CID 42766501

IUPACN-(3-chlorophenyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCC(C)CC(=O)N1CCC2(CC1)C(=O)N(CC(=O)Nc1cccc(Cl)c1)CN2c1ccccc1
InChIInChI=1S/C26H31ClN4O3/c1-19(2)15-24(33)29-13-11-26(12-14-29)25(34)30(18-31(26)22-9-4-3-5-10-22)17-23(32)28-21-8-6-7-20(27)16-21/h3-10,16,19H,11-15,17-18H2,1-2H3,(H,28,32)
InChIKeyTZLNWBLJMMZOFY-UHFFFAOYSA-N
MW483.01 g/mol
LogP3.99
Rot. Bonds6

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

N-(3-chlorophenyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 42766501) has the molecular formula C26H31ClN4O3 and a molecular weight of 483.01 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
PubChem CID42766501
Molecular FormulaC26H31ClN4O3
Molecular Weight483.01 g/mol
Exact Mass482.21
IUPAC NameN-(3-chlorophenyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCC(C)CC(=O)N1CCC2(CC1)C(=O)N(CC(=O)Nc1cccc(Cl)c1)CN2c1ccccc1
InChIInChI=1S/C26H31ClN4O3/c1-19(2)15-24(33)29-13-11-26(12-14-29)25(34)30(18-31(26)22-9-4-3-5-10-22)17-23(32)28-21-8-6-7-20(27)16-21/h3-10,16,19H,11-15,17-18H2,1-2H3,(H,28,32)
InChIKeyTZLNWBLJMMZOFY-UHFFFAOYSA-N
XLogP3.99
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.01
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-chloroanilino)-2-oxoethyl]-N-(3-chlorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 4296396
2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 4517571
N-(3-chlorophenyl)-2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3404690
N-(3-chlorophenyl)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 42771010
N-(3-chlorophenyl)-2-[4-oxo-8-(4-pentylbenzoyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 24717523
2-[8-(3-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 3903647
2-[8-(2,4-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide
CID 3509588
N-(3-methylphenyl)-2-(4-oxo-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 42772708
N-[(4-fluorophenyl)methyl]-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 5012251
2-[8-(3-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(4-methoxyphenyl)acetamide
CID 5067912
2-[8-(2-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide
CID 3423981
N-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 42773682

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 42766501) is N-(3-chlorophenyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is CC(C)CC(=O)N1CCC2(CC1)C(=O)N(CC(=O)Nc1cccc(Cl)c1)CN2c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is TZLNWBLJMMZOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O3/c1-19(2)15-24(33)29-13-11-26(12-14-29)25(34)30(18-31(26)22-9-4-3-5-10-22)17-23(32)28-21-8-6-7-20(27)16-21/h3-10,16,19H,11-15,17-18H2,1-2H3,(H,28,32).
What are the key properties of N-(3-chlorophenyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
N-(3-chlorophenyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 483.01 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 42766501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).