N-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide

C23H31N3O4 — CID 175640927

IUPACN-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide
SMILESCOCCN1CCC2(CCN(C(=O)c3ccc(C)c(NC(=O)C4CCC4)c3)C2)C1=O
InChIInChI=1S/C23H31N3O4/c1-16-6-7-18(14-19(16)24-20(27)17-4-3-5-17)21(28)26-11-9-23(15-26)8-10-25(22(23)29)12-13-30-2/h6-7,14,17H,3-5,8-13,15H2,1-2H3,(H,24,27)
InChIKeyWEEATXQODFFISH-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.44
Rot. Bonds6

About N-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide

N-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide (PubChem CID 175640927) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide
PubChem CID175640927
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC NameN-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide
SMILESCOCCN1CCC2(CCN(C(=O)c3ccc(C)c(NC(=O)C4CCC4)c3)C2)C1=O
InChIInChI=1S/C23H31N3O4/c1-16-6-7-18(14-19(16)24-20(27)17-4-3-5-17)21(28)26-11-9-23(15-26)8-10-25(22(23)29)12-13-30-2/h6-7,14,17H,3-5,8-13,15H2,1-2H3,(H,24,27)
InChIKeyWEEATXQODFFISH-UHFFFAOYSA-N
XLogP2.44
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide
CID 172661986
(5S)-2-(2H-benzotriazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97116173
2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175643015
7-(2-methoxyethyl)-2-(1-methyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72921168
(5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25299094
7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645008
7-(4-chloro-2-fluorobenzoyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642055
7-(2-chloro-5-fluorobenzoyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643787
2-(2-methoxyethyl)-N-naphthalen-1-yl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 176504065
2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155855059
7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645866
2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896660

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide (CID 175640927) is N-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide is COCCN1CCC2(CCN(C(=O)c3ccc(C)c(NC(=O)C4CCC4)c3)C2)C1=O.
What is the InChIKey of N-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide?
The InChIKey is WEEATXQODFFISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-16-6-7-18(14-19(16)24-20(27)17-4-3-5-17)21(28)26-11-9-23(15-26)8-10-25(22(23)29)12-13-30-2/h6-7,14,17H,3-5,8-13,15H2,1-2H3,(H,24,27).
What are the key properties of N-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide?
N-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide has a molecular weight of 413.52 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide is sourced from PubChem (CID 175640927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).