N-(1'-butyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-yl)cyclopentanecarboxamide

C21H28N2O4 — CID 46830977

IUPACN-(1'-butyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-yl)cyclopentanecarboxamide
SMILESCCCCN1C(=O)C2(OCCCO2)c2cc(NC(=O)C3CCCC3)ccc21
InChIInChI=1S/C21H28N2O4/c1-2-3-11-23-18-10-9-16(22-19(24)15-7-4-5-8-15)14-17(18)21(20(23)25)26-12-6-13-27-21/h9-10,14-15H,2-8,11-13H2,1H3,(H,22,24)
InChIKeySMLAMOJNFLJNIV-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.55
Rot. Bonds5

About N-(1'-butyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-yl)cyclopentanecarboxamide

N-(1'-butyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-yl)cyclopentanecarboxamide (PubChem CID 46830977) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(1'-butyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1'-butyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-yl)cyclopentanecarboxamide
PubChem CID46830977
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(1'-butyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-yl)cyclopentanecarboxamide
SMILESCCCCN1C(=O)C2(OCCCO2)c2cc(NC(=O)C3CCCC3)ccc21
InChIInChI=1S/C21H28N2O4/c1-2-3-11-23-18-10-9-16(22-19(24)15-7-4-5-8-15)14-17(18)21(20(23)25)26-12-6-13-27-21/h9-10,14-15H,2-8,11-13H2,1H3,(H,22,24)
InChIKeySMLAMOJNFLJNIV-UHFFFAOYSA-N
XLogP3.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5'-bromo-1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889670
4-[4-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)butanoylamino]-N-hydroxybenzamide
CID 90465904
1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889643
N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)cyclopropanecarboxamide
CID 40887557
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)cyclohexanecarboxamide
CID 40829137
1-acetyl-N-(1,3,3-trimethyl-2-oxoindol-5-yl)piperidine-4-carboxamide
CID 110742190
N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide
CID 110493196
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)cyclohexanecarboxamide
CID 110778343
2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetohydrazide
CID 1098767
methyl 3-butyl-6-[3-(cyclobutanecarbonylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 42756649
N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide
CID 106909905
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)cyclopentanecarboxamide
CID 16812651

Frequently Asked Questions

What is the IUPAC name of N-(1'-butyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1'-butyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-yl)cyclopentanecarboxamide (CID 46830977) is N-(1'-butyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1'-butyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1'-butyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-yl)cyclopentanecarboxamide is CCCCN1C(=O)C2(OCCCO2)c2cc(NC(=O)C3CCCC3)ccc21.
What is the InChIKey of N-(1'-butyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-yl)cyclopentanecarboxamide?
The InChIKey is SMLAMOJNFLJNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-2-3-11-23-18-10-9-16(22-19(24)15-7-4-5-8-15)14-17(18)21(20(23)25)26-12-6-13-27-21/h9-10,14-15H,2-8,11-13H2,1H3,(H,22,24).
What are the key properties of N-(1'-butyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-yl)cyclopentanecarboxamide?
N-(1'-butyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-yl)cyclopentanecarboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-butyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-yl)cyclopentanecarboxamide is sourced from PubChem (CID 46830977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).