2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide

C18H32N2O3 — CID 96549639

IUPAC2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide
SMILESO=C(CN1CCO[C@H]2CCC[C@@H]21)NCCCOC1CCCCC1
InChIInChI=1S/C18H32N2O3/c21-18(14-20-11-13-23-17-9-4-8-16(17)20)19-10-5-12-22-15-6-2-1-3-7-15/h15-17H,1-14H2,(H,19,21)/t16-,17-/m0/s1
InChIKeyBSZHVOSSHOFTOC-IRXDYDNUSA-N
MW324.47 g/mol
LogP2.10
Rot. Bonds7

About 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide

2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide (PubChem CID 96549639) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide.

Molecular Properties

Compound Name2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide
PubChem CID96549639
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide
SMILESO=C(CN1CCO[C@H]2CCC[C@@H]21)NCCCOC1CCCCC1
InChIInChI=1S/C18H32N2O3/c21-18(14-20-11-13-23-17-9-4-8-16(17)20)19-10-5-12-22-15-6-2-1-3-7-15/h15-17H,1-14H2,(H,19,21)/t16-,17-/m0/s1
InChIKeyBSZHVOSSHOFTOC-IRXDYDNUSA-N
XLogP2.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide with MolForge

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Related Compounds

1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908413
N-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 87015240
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
N-(3-cyclohexyloxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 74246595
2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
CID 96549660
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butan-2-one
CID 62039938
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
ethyl 2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]acetate
CID 124670169
N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide
CID 79286966
2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 95145502
N-(3-cyclohexyloxypropyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430333
N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 87017395

Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide?
The IUPAC name of 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide (CID 96549639) is 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide.
What is the SMILES notation for 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide?
The canonical SMILES for 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide is O=C(CN1CCO[C@H]2CCC[C@@H]21)NCCCOC1CCCCC1.
What is the InChIKey of 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide?
The InChIKey is BSZHVOSSHOFTOC-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H32N2O3/c21-18(14-20-11-13-23-17-9-4-8-16(17)20)19-10-5-12-22-15-6-2-1-3-7-15/h15-17H,1-14H2,(H,19,21)/t16-,17-/m0/s1.
What are the key properties of 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide?
2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide has a molecular weight of 324.47 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide is sourced from PubChem (CID 96549639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).