N-[(2-methoxyphenyl)methyl]-2-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]acetamide

C21H31N3O3 — CID 97120455

IUPACN-[(2-methoxyphenyl)methyl]-2-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCCCN1CCC[C@]2(CCN(CC(=O)NCc3ccccc3OC)C2)C1=O
InChIInChI=1S/C21H31N3O3/c1-3-11-24-12-6-9-21(20(24)26)10-13-23(16-21)15-19(25)22-14-17-7-4-5-8-18(17)27-2/h4-5,7-8H,3,6,9-16H2,1-2H3,(H,22,25)/t21-/m1/s1
InChIKeyZDVHJMKITTVOPE-OAQYLSRUSA-N
MW373.50 g/mol
LogP2.04
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]acetamide

N-[(2-methoxyphenyl)methyl]-2-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]acetamide (PubChem CID 97120455) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]acetamide
PubChem CID97120455
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCCCN1CCC[C@]2(CCN(CC(=O)NCc3ccccc3OC)C2)C1=O
InChIInChI=1S/C21H31N3O3/c1-3-11-24-12-6-9-21(20(24)26)10-13-23(16-21)15-19(25)22-14-17-7-4-5-8-18(17)27-2/h4-5,7-8H,3,6,9-16H2,1-2H3,(H,22,25)/t21-/m1/s1
InChIKeyZDVHJMKITTVOPE-OAQYLSRUSA-N
XLogP2.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)acetamide
CID 176503248
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2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea
CID 119062821
N-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide
CID 97117367
2-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 74239322
ethyl 4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932090
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171704523
N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458
N-[(2-methoxyphenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686502
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963608

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]acetamide (CID 97120455) is N-[(2-methoxyphenyl)methyl]-2-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]acetamide is CCCN1CCC[C@]2(CCN(CC(=O)NCc3ccccc3OC)C2)C1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is ZDVHJMKITTVOPE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-3-11-24-12-6-9-21(20(24)26)10-13-23(16-21)15-19(25)22-14-17-7-4-5-8-18(17)27-2/h4-5,7-8H,3,6,9-16H2,1-2H3,(H,22,25)/t21-/m1/s1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 97120455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).