5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C27H31N3O6 — CID 175926848

IUPAC5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2(COC3CCCCO3)CC2N1C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H31N3O6/c28-25(32)21-14-27(17-35-24-8-4-5-13-34-24)15-22(27)30(21)23(31)16-29-26(33)18-9-11-20(12-10-18)36-19-6-2-1-3-7-19/h1-3,6-7,9-12,21-22,24H,4-5,8,13-17H2,(H2,28,32)(H,29,33)
InChIKeyNZPQQWBVETTYLT-UHFFFAOYSA-N
MW493.56 g/mol
LogP2.60
Rot. Bonds9

About 5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 175926848) has the molecular formula C27H31N3O6 and a molecular weight of 493.56 g/mol. Its IUPAC name is 5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID175926848
Molecular FormulaC27H31N3O6
Molecular Weight493.56 g/mol
Exact Mass493.22
IUPAC Name5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2(COC3CCCCO3)CC2N1C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H31N3O6/c28-25(32)21-14-27(17-35-24-8-4-5-13-34-24)15-22(27)30(21)23(31)16-29-26(33)18-9-11-20(12-10-18)36-19-6-2-1-3-7-19/h1-3,6-7,9-12,21-22,24H,4-5,8,13-17H2,(H2,28,32)(H,29,33)
InChIKeyNZPQQWBVETTYLT-UHFFFAOYSA-N
XLogP2.60
TPSA120.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Related Compounds

7-[2-[(4-phenoxybenzoyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
CID 175689140
5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 175926864
4-cyclopropyloxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 175926869
5-(2-azidoethoxymethyl)-2-[2-[[4-(4-fluorophenoxy)benzoyl]amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 175937745
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide
CID 30580744
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790284
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492409
N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 88975994
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 40703234
[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 9348238
(1S,3S,5R)-N-[1-(5-carbamimidoylthiophen-2-yl)ethyl]-2-[2-[[4-(4-fluorophenoxy)benzoyl]amino]acetyl]-5-(methoxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 170164737

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 175926848) is 5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is NC(=O)C1CC2(COC3CCCCO3)CC2N1C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is NZPQQWBVETTYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O6/c28-25(32)21-14-27(17-35-24-8-4-5-13-34-24)15-22(27)30(21)23(31)16-29-26(33)18-9-11-20(12-10-18)36-19-6-2-1-3-7-19/h1-3,6-7,9-12,21-22,24H,4-5,8,13-17H2,(H2,28,32)(H,29,33).
What are the key properties of 5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 493.56 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 175926848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).