N-[[(5R)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide

C14H26N2O2 — CID 122491621

IUPACN-[[(5R)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide
SMILESCOCC(C)(C)CN1CC2C(CNC(C)=O)[C@H]2C1
InChIInChI=1S/C14H26N2O2/c1-10(17)15-5-11-12-6-16(7-13(11)12)8-14(2,3)9-18-4/h11-13H,5-9H2,1-4H3,(H,15,17)/t11?,12-,13?/m1/s1
InChIKeyAKBSRHLJZBTLOZ-OTTFEQOBSA-N
MW254.37 g/mol
LogP0.97
Rot. Bonds6

About N-[[(5R)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide

N-[[(5R)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide (PubChem CID 122491621) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[[(5R)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5R)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide
PubChem CID122491621
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[[(5R)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide
SMILESCOCC(C)(C)CN1CC2C(CNC(C)=O)[C@H]2C1
InChIInChI=1S/C14H26N2O2/c1-10(17)15-5-11-12-6-16(7-13(11)12)8-14(2,3)9-18-4/h11-13H,5-9H2,1-4H3,(H,15,17)/t11?,12-,13?/m1/s1
InChIKeyAKBSRHLJZBTLOZ-OTTFEQOBSA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide?
The IUPAC name of N-[[(5R)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide (CID 122491621) is N-[[(5R)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5R)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide?
The canonical SMILES for N-[[(5R)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide is COCC(C)(C)CN1CC2C(CNC(C)=O)[C@H]2C1.
What is the InChIKey of N-[[(5R)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide?
The InChIKey is AKBSRHLJZBTLOZ-OTTFEQOBSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(17)15-5-11-12-6-16(7-13(11)12)8-14(2,3)9-18-4/h11-13H,5-9H2,1-4H3,(H,15,17)/t11?,12-,13?/m1/s1.
What are the key properties of N-[[(5R)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide?
N-[[(5R)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide has a molecular weight of 254.37 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide is sourced from PubChem (CID 122491621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).