N-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide

C15H20N2O2 — CID 167990501

IUPACN-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCC12CCCNC1C2
InChIInChI=1S/C15H20N2O2/c18-12-4-1-3-11(7-12)8-14(19)17-10-15-5-2-6-16-13(15)9-15/h1,3-4,7,13,16,18H,2,5-6,8-10H2,(H,17,19)
InChIKeyNSXZIIVBVPECOY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.19
Rot. Bonds4

About N-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide

N-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide (PubChem CID 167990501) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide
PubChem CID167990501
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCC12CCCNC1C2
InChIInChI=1S/C15H20N2O2/c18-12-4-1-3-11(7-12)8-14(19)17-10-15-5-2-6-16-13(15)9-15/h1,3-4,7,13,16,18H,2,5-6,8-10H2,(H,17,19)
InChIKeyNSXZIIVBVPECOY-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropylcyclopropyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 103841045
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide
CID 115455953
N-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 91789520
2-(3-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78957138
2-(3-hydroxyphenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]acetamide
CID 103801681
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide
CID 61399479
2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580394
2-cyclopentyl-N-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]acetamide
CID 98231617
1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81163856
2-(3-hydroxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 61399440
1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563570
2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
CID 113235632

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide (CID 167990501) is N-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)NCC12CCCNC1C2.
What is the InChIKey of N-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide?
The InChIKey is NSXZIIVBVPECOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-12-4-1-3-11(7-12)8-14(19)17-10-15-5-2-6-16-13(15)9-15/h1,3-4,7,13,16,18H,2,5-6,8-10H2,(H,17,19).
What are the key properties of N-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide?
N-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 167990501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).