(4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide

C14H27N3O3 — CID 97365333

IUPAC(4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
SMILESCN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)N(C)C
InChIInChI=1S/C14H27N3O3/c1-15(2)7-9-19-12-6-5-11-13(12)20-10-8-17(11)14(18)16(3)4/h11-13H,5-10H2,1-4H3/t11-,12+,13+/m0/s1
InChIKeyWSXZRLVLEPMJJS-YNEHKIRRSA-N
MW285.39 g/mol
LogP0.48
Rot. Bonds4

About (4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide

(4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide (PubChem CID 97365333) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is (4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound Name(4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
PubChem CID97365333
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name(4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
SMILESCN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)N(C)C
InChIInChI=1S/C14H27N3O3/c1-15(2)7-9-19-12-6-5-11-13(12)20-10-8-17(11)14(18)16(3)4/h11-13H,5-10H2,1-4H3/t11-,12+,13+/m0/s1
InChIKeyWSXZRLVLEPMJJS-YNEHKIRRSA-N
XLogP0.48
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide with MolForge

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Related Compounds

[(4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(3-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155865800
1-[(4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 155859451
[(3S,3aS,7aR)-3-[2-(dimethylamino)ethoxy]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 98777569
N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide
CID 71684011
2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide
CID 97380571
[(4aR,7R,7aS)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-quinolin-2-ylmethanone
CID 124826721
[(4aR,7R,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
CID 133139635
[(4aR,7R,7aS)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
CID 133142735
1-[(4aS,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1R)-cyclopent-2-en-1-yl]ethanone
CID 97365810
1-[(4aS,7R,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1R)-cyclopent-2-en-1-yl]ethanone
CID 97365292
1-[(4aS,7S,7aS)-7-prop-2-enoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopentylethanone
CID 97365183
1-[(4aR,7R,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-pyridin-2-ylethanone
CID 124826822

Frequently Asked Questions

What is the IUPAC name of (4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide?
The IUPAC name of (4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide (CID 97365333) is (4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for (4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide?
The canonical SMILES for (4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide is CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)N(C)C.
What is the InChIKey of (4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide?
The InChIKey is WSXZRLVLEPMJJS-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-15(2)7-9-19-12-6-5-11-13(12)20-10-8-17(11)14(18)16(3)4/h11-13H,5-10H2,1-4H3/t11-,12+,13+/m0/s1.
What are the key properties of (4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide?
(4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 97365333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).