N-[4-[(3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]phenyl]acetamide

C16H21N3O2 — CID 134792747

IUPACN-[4-[(3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC3(CC(C)=NO3)C2)cc1
InChIInChI=1S/C16H21N3O2/c1-12-9-16(21-18-12)7-8-19(11-16)10-14-3-5-15(6-4-14)17-13(2)20/h3-6H,7-11H2,1-2H3,(H,17,20)
InChIKeyBTMUTEJYMIZBLJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.39
Rot. Bonds3

About N-[4-[(3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]phenyl]acetamide

N-[4-[(3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]phenyl]acetamide (PubChem CID 134792747) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[4-[(3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]phenyl]acetamide
PubChem CID134792747
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[4-[(3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC3(CC(C)=NO3)C2)cc1
InChIInChI=1S/C16H21N3O2/c1-12-9-16(21-18-12)7-8-19(11-16)10-14-3-5-15(6-4-14)17-13(2)20/h3-6H,7-11H2,1-2H3,(H,17,20)
InChIKeyBTMUTEJYMIZBLJ-UHFFFAOYSA-N
XLogP2.39
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]phenyl]acetamide (CID 134792747) is N-[4-[(3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC3(CC(C)=NO3)C2)cc1.
What is the InChIKey of N-[4-[(3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]phenyl]acetamide?
The InChIKey is BTMUTEJYMIZBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-9-16(21-18-12)7-8-19(11-16)10-14-3-5-15(6-4-14)17-13(2)20/h3-6H,7-11H2,1-2H3,(H,17,20).
What are the key properties of N-[4-[(3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]phenyl]acetamide?
N-[4-[(3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]phenyl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 134792747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).